2,4-difluoro-5-nitrobenzoic acid

2,4-difluoro-5-nitrobenzoic acid

CAS: 153775-33-8

Formula: C7H3F2NO4

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

IUPAC: 2,4-difluoro-5-nitrobenzoic acid

InChI: InChI=1S/C7H3F2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)

Composition: C (41.40%), H (1.49%), F (18.71%), N (6.90%), O (31.51%)

Molar Mass: 203.101

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.003013907
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MDFSGDMPHMKKGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.07
Topological Polar Surface Area	80.44
Polarizability	14.43
Ring Count	1
Rotatable Bond Count	2

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