3-fluoro-4-hydroxy-5-nitrobenzonitrile

3-fluoro-4-hydroxy-5-nitrobenzonitrile

CAS: 1208917-60-5

Formula: C7H3FN2O3

SMILES: OC1=C(F)C=C(C=C1[N+]([O-])=O)C#N

IUPAC: 3-fluoro-4-hydroxy-5-nitrobenzonitrile

InChI: InChI=1S/C7H3FN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H

Composition: C (46.17%), H (1.66%), F (10.43%), N (15.38%), O (26.36%)

Molar Mass: 182.11

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.012770128
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DHCNHIHWYZUWQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.3
Topological Polar Surface Area	87.16
Polarizability	14.56
Ring Count	1
Rotatable Bond Count	1

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