4-amino-2-chloro-5-methoxybenzonitrile

4-amino-2-chloro-5-methoxybenzonitrile

CAS: 1613730-68-9

Formula: C8H7ClN2O

SMILES: COC1=CC(C#N)=C(Cl)C=C1N

IUPAC: 4-amino-2-chloro-5-methoxybenzonitrile

InChI: InChI=1S/C8H7ClN2O/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-3H,11H2,1H3

Composition: C (52.62%), H (3.86%), Cl (19.41%), N (15.34%), O (8.76%)

Molar Mass: 182.61

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.0246906
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GKMMNRLLGCWRTM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.75
Topological Polar Surface Area	59.04
Polarizability	17.73
Ring Count	1
Rotatable Bond Count	1

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