6-bromo-5-chloroisoquinoline

6-bromo-5-chloroisoquinoline

CAS: 1221232-30-9

Formula: C9H5BrClN

SMILES: ClC1=C(Br)C=CC2=CN=CC=C12

IUPAC: 6-bromo-5-chloroisoquinoline

InChI: InChI=1S/C9H5BrClN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H

Composition: C (44.58%), H (2.08%), Br (32.95%), Cl (14.62%), N (5.78%)

Molar Mass: 242.5

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.92939
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BQQSVSKUSSGCQX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.78
Topological Polar Surface Area	12.89
Polarizability	21.55
Ring Count	2
Rotatable Bond Count	0

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