4,5-difluoro-2-nitrobenzaldehyde

4,5-difluoro-2-nitrobenzaldehyde

CAS: 149169-49-3

Formula: C7H3F2NO3

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

IUPAC: 4,5-difluoro-2-nitrobenzaldehyde

InChI: InChI=1S/C7H3F2NO3/c8-5-1-4(3-11)7(10(12)13)2-6(5)9/h1-3H

Composition: C (44.94%), H (1.62%), F (20.31%), N (7.49%), O (25.65%)

Molar Mass: 187.102

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.008099287
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZDBVXHXVYPVPQT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.4
Topological Polar Surface Area	60.21
Polarizability	13.84
Ring Count	1
Rotatable Bond Count	2

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