3-chloro-5-fluoro-4-methoxybenzonitrile

3-chloro-5-fluoro-4-methoxybenzonitrile

CAS: 886497-30-9

Formula: C8H5ClFNO

SMILES: COC1=C(Cl)C=C(C=C1F)C#N

IUPAC: 3-chloro-5-fluoro-4-methoxybenzonitrile

InChI: InChI=1S/C8H5ClFNO/c1-12-8-6(9)2-5(4-11)3-7(8)10/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	DMZLTRBVBZNQKR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.26
Topological Polar Surface Area	33.02
Polarizability	16.35
Ring Count	1
Rotatable Bond Count	1

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