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Name
3-(N-CYCLOPROPYLSULPHAMOYL)BENZENEBORONIC ACID 98
- EINECS
- CAS No. 913835-28-6
- Density 1.45g/cm3
- Solubility
- Melting Point 126-128
- Formula C9H12BNO4S
- Boiling Point 484.4 °C at 760 mmHg
- Molecular Weight 241.076
- Flash Point 246.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms Boronicacid, [3-[(cyclopropylamino)sulfonyl]phenyl]- (9CI);3-(Cyclopropylsulfamoyl)phenylboronic acid;[3-(N-Cyclopropylsulfamoyl)phenyl]boronicacid;
- PSA 95.01000
- LogP 0.27880
Boronicacid, B-[3-[(cyclopropylamino)sulfonyl]phenyl]- Specification
The Boronicacid, B-[3-[(cyclopropylamino)sulfonyl]phenyl]-, with CAS registry number 913835-28-6, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Sulfonamides. It has the systematic name of [3-(cyclopropylsulfamoyl)phenyl]boronic acid. This chemical should be kept cold. And the chemical formula of this chemical is C9H12BNO4S.
(1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.47; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 95.01 Å2; (9)Index of Refraction: 1.612; (10)Molar Refractivity: 57.58 cm3; (11)Molar Volume: 165.4 cm3; (12)Polarizability: 22.82 10-24cm3; (13)Surface Tension: 63.2 dyne/cm; (14)Density: 1.45 g/cm3; (15)Flash Point: 246.8 °C; (16)Enthalpy of Vaporization: 78.97 kJ/mol; (17)Boiling Point: 484.4 °C at 760 mmHg; (18)Vapour Pressure: 3.39E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)S(=O)(=O)NC2CC2)(O)O
(2)InChI: InChI=1/C9H12BNO4S/c12-10(13)7-2-1-3-9(6-7)16(14,15)11-8-4-5-8/h1-3,6,8,11-13H,4-5H2
(3)InChIKey: WIZSPBQIRRAOMO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H12BNO4S/c12-10(13)7-2-1-3-9(6-7)16(14,15)11-8-4-5-8/h1-3,6,8,11-13H,4-5H2
(5)Std. InChIKey: WIZSPBQIRRAOMO-UHFFFAOYSA-N
Related Products
- Boronicacid, B-(3-bromo-5-nitrophenyl)-
- Boronicacid, B-[3-[(cyclopropylamino)sulfonyl]phenyl]-
- Boronicacid, B-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride (1:1)
- Boronicacid, B-[4-(1H-pyrrol-1-ylsulfonyl)phenyl]-
- Boronicacid, B-[4-(chloromethyl)phenyl]-
- Boronicacid, B-[4-[[(1-methylethyl)amino]sulfonyl]phenyl]-
- Boronicacid, B-[4-[[(2,3-dimethylphenyl)amino]carbonyl]phenyl]-
- Boronicacid, B-[4-[[(2,4-dimethylphenyl)amino]carbonyl]phenyl]-
- Boronicacid, B-[4-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]phenyl]-
- Boronicacid, B-[4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]-
- 913835-29-7
- 913835-30-0
- 913835-31-1
- 913835-32-2
- 913835-33-3
- 913835-34-4
- 913835-36-6
- 913835-37-7
- 913835-38-8
- 913835-39-9
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