2-chloro-6-fluoro-3-methoxybenzonitrile

2-chloro-6-fluoro-3-methoxybenzonitrile

CAS: 886761-59-7

Formula: C8H5ClFNO

SMILES: COC1=CC=C(F)C(C#N)=C1Cl

IUPAC: 2-chloro-6-fluoro-3-methoxybenzonitrile

InChI: InChI=1S/C8H5ClFNO/c1-12-7-3-2-6(10)5(4-11)8(7)9/h2-3H,1H3

Composition: C (51.78%), H (2.72%), Cl (19.10%), F (10.24%), N (7.55%), O (8.62%)

Molar Mass: 185.58

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0043696
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SKNWUBSKXNQZDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.26
Topological Polar Surface Area	33.02
Polarizability	16.36
Ring Count	1
Rotatable Bond Count	1

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