2-[3-(difluoromethoxy)phenyl]acetonitrile

2-[3-(difluoromethoxy)phenyl]acetonitrile

CAS: 41429-18-9

Formula: C9H7F2NO

SMILES: FC(F)OC1=CC(CC#N)=CC=C1

IUPAC: 2-[3-(difluoromethoxy)phenyl]acetonitrile

InChI: InChI=1S/C9H7F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h1-3,6,9H,4H2

Composition: C (59.02%), H (3.85%), F (20.75%), N (7.65%), O (8.74%)

Molar Mass: 183.158

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	183.049570175
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LBUREXPMNBZKFH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.82
Topological Polar Surface Area	33.02
Polarizability	15.91
Ring Count	1
Rotatable Bond Count	3

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