1,3-dichloro-7-methylisoquinoline

1,3-dichloro-7-methylisoquinoline

CAS: 21902-37-4

Formula: C10H7Cl2N

SMILES: CC1=CC2=C(Cl)N=C(Cl)C=C2C=C1

IUPAC: 1,3-dichloro-7-methylisoquinoline

InChI: InChI=1S/C10H7Cl2N/c1-6-2-3-7-5-9(11)13-10(12)8(7)4-6/h2-5H,1H3

Composition: C (56.64%), H (3.33%), Cl (33.43%), N (6.60%)

Molar Mass: 212.07

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	210.9955546
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BPEFMJHEHCHWPC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.12
Topological Polar Surface Area	12.89
Polarizability	22.56
Ring Count	2
Rotatable Bond Count	0

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