3-fluoro-4-(hydroxymethyl)benzonitrile

3-fluoro-4-(hydroxymethyl)benzonitrile

CAS: 219873-06-0

Formula: C8H6FNO

SMILES: OCC1=CC=C(C=C1F)C#N

IUPAC: 3-fluoro-4-(hydroxymethyl)benzonitrile

InChI: InChI=1S/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2

Composition: C (63.58%), H (4.00%), F (12.57%), N (9.27%), O (10.59%)

Molar Mass: 151.14

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	151.04334198
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YGAURRAHPYQHDC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.81
Topological Polar Surface Area	44.02
Polarizability	14.31
Ring Count	1
Rotatable Bond Count	1

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