methyl 2-amino-5-bromo-4-fluorobenzoate

methyl 2-amino-5-bromo-4-fluorobenzoate

CAS: 1314987-34-2

Formula: C8H7BrFNO2

SMILES: COC(=O)C1=C(N)C=C(F)C(Br)=C1

IUPAC: methyl 2-amino-5-bromo-4-fluorobenzoate

InChI: InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3

Composition: C (38.74%), H (2.84%), Br (32.21%), F (7.66%), N (5.65%), O (12.90%)

Molar Mass: 248.051

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.96442
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KCEZKHRRFNEJGO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.62
Topological Polar Surface Area	52.32
Polarizability	18.68
Ring Count	1
Rotatable Bond Count	2

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