3-fluoro-2-nitrobenzoic acid

3-fluoro-2-nitrobenzoic acid

CAS: 1000339-51-4

Formula: C7H4FNO4

SMILES: OC(=O)C1=CC=CC(F)=C1[N+]([O-])=O

IUPAC: 3-fluoro-2-nitrobenzoic acid

InChI: InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)

Composition: C (45.42%), H (2.18%), F (10.26%), N (7.57%), O (34.57%)

Molar Mass: 185.11

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.012435776
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DTGONJAUUOWYGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.85
Topological Polar Surface Area	80.44
Polarizability	14.52
Ring Count	1
Rotatable Bond Count	2

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