1-chloro-6-methylisoquinoline

1-chloro-6-methylisoquinoline

CAS: 209286-73-7

Formula: C10H8ClN

SMILES: CC1=CC2=CC=NC(Cl)=C2C=C1

IUPAC: 1-chloro-6-methylisoquinoline

InChI: InChI=1S/C10H8ClN/c1-7-2-3-9-8(6-7)4-5-12-10(9)11/h2-6H,1H3

Composition: C (67.62%), H (4.54%), Cl (19.96%), N (7.89%)

Molar Mass: 177.63

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	177.034527
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	VBKBNFQWNBALDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.26
Topological Polar Surface Area	12.89
Polarizability	20.66
Ring Count	2
Rotatable Bond Count	0

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