4-amino-2-chloro-3-methylbenzonitrile

4-amino-2-chloro-3-methylbenzonitrile

CAS: 573768-09-9

Formula: C8H7ClN2

SMILES: CC1=C(N)C=CC(C#N)=C1Cl

IUPAC: 4-amino-2-chloro-3-methylbenzonitrile

InChI: InChI=1S/C8H7ClN2/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3H,11H2,1H3

Composition: C (57.67%), H (4.24%), Cl (21.28%), N (16.81%)

Molar Mass: 166.61

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.0297759
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RNTRNRRXHOGTLD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.33
Topological Polar Surface Area	49.81
Polarizability	16.95
Ring Count	1
Rotatable Bond Count	0

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