2-chloro-3-fluoro-6-nitrobenzoic acid

2-chloro-3-fluoro-6-nitrobenzoic acid

CAS: 1610927-39-3

Formula: C7H3ClFNO4

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

IUPAC: 2-chloro-3-fluoro-6-nitrobenzoic acid

InChI: InChI=1S/C7H3ClFNO4/c8-6-3(9)1-2-4(10(13)14)5(6)7(11)12/h1-2H,(H,11,12)

Composition: C (38.29%), H (1.38%), Cl (16.15%), F (8.65%), N (6.38%), O (29.15%)

Molar Mass: 219.55

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.9734634
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SIHIQTGCFIZTHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.66
Topological Polar Surface Area	80.44
Polarizability	16.56
Ring Count	1
Rotatable Bond Count	2

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