methyl 2-amino-5-fluoro-3-methylbenzoate

methyl 2-amino-5-fluoro-3-methylbenzoate

CAS: 952479-98-0

Formula: C9H10FNO2

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

IUPAC: methyl 2-amino-5-fluoro-3-methylbenzoate

InChI: InChI=1S/C9H10FNO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/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	FZVXQHDTZQYNMO-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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