3-(Cyclopropylcarbamoyl)-5-nitrophenylboronic acid supplier

Name
3-(CYCLOPROPYLCARBAMOYL)-5-NITROPHENYLBORONIC ACID
EINECS
CAS No. 871332-86-4
Density 1.464 g/cm³
Solubility
Melting Point 126-128℃
Formula C₁₀H₁₁BN₂O₅
Boiling Point
Molecular Weight 250.02
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, [3-[(cyclopropylamino)carbonyl]-5-nitrophenyl]- (9CI);3-(Cyclopropylaminocarbonyl)-5-nitrophenylboronic acid;
PSA 115.38000
LogP 0.08090

3-(Cyclopropylcarbamoyl)-5-nitrophenylboronic acid Specification

The Boronic acid,B-[3-[(cyclopropylamino)carbonyl]-5-nitrophenyl]- with CAS registry number of 871332-86-4 is also known as Boronicacid, [3-[(cyclopropylamino)carbonyl]-5-nitrophenyl]- (9CI). The systematic name is [3-(Cyclopropylcarbamoyl)-5-nitro-phenyl]boronic acid. It belongs to product categories of Blocks; BoronicAcids; Carboxes; NitroCompounds. In addition, the formula is C₁₀H₁₁BN₂O₅ and the molecular weight is 250.02.

Physical properties about Boronic acid,B-[3-[(cyclopropylamino)carbonyl]-5-nitrophenyl]- are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): 0.16; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 27.593; (6)ACD/KOC (pH 7.4): 2.875; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.614; (11)Molar Refractivity: 59.543 cm³; (12)Molar Volume: 170.806 cm³; (13)Surface Tension: 67.277 dyne/cm; (14)Density: 1.464 g/cm³.

You can still convert the following datas into molecular structure:
1. SMILES: B(c1cc(cc(c1)[N+](=O)[O-])C(=O)NC2CC2)(O)O
2. InChI: InChI=1/C10H11BN2O5/c14-10(12-8-1-2-8)6-3-7(11(15)16)5-9(4-6)13(17)18/h3-5,8,15-16H,1-2H2,(H,12,14)
3. InChIKey: RUOBGRNHHLTXGU-UHFFFAOYAI
4. Std. InChI: InChI=1S/C10H11BN2O5/c14-10(12-8-1-2-8)6-3-7(11(15)16)5-9(4-6)1(17)18/h3-5,8,15-16H,1-2H2,(H,12,14)
5. Std. InChIKey: RUOBGRNHHLTXGU-UHFFFAOYSA-N

Product Name

3-(CYCLOPROPYLCARBAMOYL)-5-NITROPHENYLBORONIC ACID

3-(Cyclopropylcarbamoyl)-5-nitrophenylboronic acid Specification

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