Boronic acid,B-[2-fluoro-5-[(methoxyamino)carbonyl]phenyl]- supplier

Name
2-FLUORO-5-(METHOXYCARBAMOYL)BENZENEBORONIC ACID
EINECS
CAS No. 874289-58-4
Density 1.36 g/cm³
Solubility
Melting Point 122-124
Formula C₈H₉BFNO₄
Boiling Point
Molecular Weight 212.97
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [2-fluoro-5-[(methoxyamino)carbonyl]phenyl]- (9CI);
PSA 78.79000
LogP -0.81240

Boronic acid,B-[2-fluoro-5-[(methoxyamino)carbonyl]phenyl]- Specification

The Boronic acid,B-[2-fluoro-5-[(methoxyamino)carbonyl]phenyl]- has CAS registry number 874289-58-4. This chemical's molecular formula is C₈H₉BFNO₄ and molecular weight is 212.97. What's more, its systematic name is [2-fluoro-5-(methoxycarbamoyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[2-fluoro-5-[(methoxyamino)carbonyl]phenyl]- are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.24; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 78.79 Å²; (9)Index of Refraction: 1.531; (10)Molar Refractivity: 48.16 cm³; (11)Molar Volume: 155.6 cm³; (12)Polarizability: 19.09×10^-24cm³; (13)Surface Tension: 48.7 dyne/cm; (14)Density: 1.36 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1F)C(=O)NOC)(O)O
(2)Std. InChI: InChI=1S/C8H9BFNO4/c1-15-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12)
(3)Std. InChIKey: BICVNGATAFRLPE-UHFFFAOYSA-N

Product Name

2-FLUORO-5-(METHOXYCARBAMOYL)BENZENEBORONIC ACID

Boronic acid,B-[2-fluoro-5-[(methoxyamino)carbonyl]phenyl]- Specification

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