2-nitro-5-(trifluoromethoxy)benzoic acid

2-nitro-5-(trifluoromethoxy)benzoic acid

CAS: 189359-65-7

Formula: C8H4F3NO5

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

IUPAC: 2-nitro-5-(trifluoromethoxy)benzoic acid

InChI: InChI=1S/C8H4F3NO5/c9-8(10,11)17-4-1-2-6(12(15)16)5(3-4)7(13)14/h1-3H,(H,13,14)

Composition: C (38.26%), H (1.61%), F (22.70%), N (5.58%), O (31.86%)

Molar Mass: 251.117

Atom Count: 21

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.004156722
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GQEIKAXUKWLVPL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.71
Topological Polar Surface Area	89.67
Polarizability	17.04
Ring Count	1
Rotatable Bond Count	4

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