2,4-difluoro-3-methoxybenzonitrile

2,4-difluoro-3-methoxybenzonitrile

CAS: 220353-20-8

Formula: C8H5F2NO

SMILES: COC1=C(F)C=CC(C#N)=C1F

IUPAC: 2,4-difluoro-3-methoxybenzonitrile

InChI: InChI=1S/C8H5F2NO/c1-12-8-6(9)3-2-5(4-11)7(8)10/h2-3H,1H3

Composition: C (56.81%), H (2.98%), F (22.47%), N (8.28%), O (9.46%)

Molar Mass: 169.131

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	169.033920111
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RWTCBZZFDKXOLX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.68
Topological Polar Surface Area	33.02
Polarizability	14.18
Ring Count	1
Rotatable Bond Count	1

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