2-amino-4-bromo-5-fluorobenzoic acid

2-amino-4-bromo-5-fluorobenzoic acid

CAS: 1374208-42-0

Formula: C7H5BrFNO2

SMILES: NC1=CC(Br)=C(F)C=C1C(O)=O

IUPAC: 2-amino-4-bromo-5-fluorobenzoic acid

InChI: InChI=1S/C7H5BrFNO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)

Composition: C (35.93%), H (2.15%), Br (34.14%), F (8.12%), N (5.99%), O (13.67%)

Molar Mass: 234.024

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	232.94877
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ACAXDURFMBWUGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.85
Topological Polar Surface Area	63.32
Polarizability	16.68
Ring Count	1
Rotatable Bond Count	1

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