methyl 3-amino-4-fluoro-2-methylbenzoate

methyl 3-amino-4-fluoro-2-methylbenzoate

CAS: 1079993-18-2

Formula: C9H10FNO2

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

IUPAC: methyl 3-amino-4-fluoro-2-methylbenzoate

InChI: InChI=1S/C9H10FNO2/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4H,11H2,1-2H3

Composition: C (59.01%), H (5.50%), F (10.37%), N (7.65%), O (17.47%)

Molar Mass: 183.182

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	183.069556729
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XDLABKPUGZTDBB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.04
Topological Polar Surface Area	52.32
Polarizability	17.38
Ring Count	1
Rotatable Bond Count	2

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