methyl 2-amino-3,6-difluorobenzoate

methyl 2-amino-3,6-difluorobenzoate

CAS: 1184204-30-5

Formula: C8H7F2NO2

SMILES: COC(=O)C1=C(F)C=CC(F)=C1N

IUPAC: methyl 2-amino-3,6-difluorobenzoate

InChI: InChI=1S/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,11H2,1H3

Composition: C (51.34%), H (3.77%), F (20.30%), N (7.48%), O (17.10%)

Molar Mass: 187.146

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.044484795
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SWVGSVMHUSBITN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.22
Topological Polar Surface Area	52.32
Polarizability	15.46
Ring Count	1
Rotatable Bond Count	2

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