5-amino-4-fluoro-2-methylbenzoic acid

5-amino-4-fluoro-2-methylbenzoic acid

CAS: 658085-42-8

Formula: C8H8FNO2

SMILES: CC1=C(C=C(N)C(F)=C1)C(O)=O

IUPAC: 5-amino-4-fluoro-2-methylbenzoic acid

InChI: InChI=1S/C8H8FNO2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,10H2,1H3,(H,11,12)

Composition: C (56.80%), H (4.77%), F (11.23%), N (8.28%), O (18.92%)

Molar Mass: 169.155

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	169.053906665
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SFNAZQPORDGVBS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.27
Topological Polar Surface Area	63.32
Polarizability	15.33
Ring Count	1
Rotatable Bond Count	1

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