2-nitro-5-(trifluoromethyl)benzaldehyde

2-nitro-5-(trifluoromethyl)benzaldehyde

CAS: 1176723-57-1

Formula: C8H4F3NO3

SMILES: [O-][N+](=O)C1=CC=C(C=C1C=O)C(F)(F)F

IUPAC: 2-nitro-5-(trifluoromethyl)benzaldehyde

InChI: InChI=1S/C8H4F3NO3/c9-8(10,11)6-1-2-7(12(14)15)5(3-6)4-13/h1-4H

Composition: C (43.85%), H (1.84%), F (26.01%), N (6.39%), O (21.90%)

Molar Mass: 219.119

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.014327482
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GWFTUORCGNGELH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.94
Topological Polar Surface Area	60.21
Polarizability	15.62
Ring Count	1
Rotatable Bond Count	3

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