3-bromo-6-chloroisoquinoline

3-bromo-6-chloroisoquinoline

CAS: 1276056-79-1

Formula: C9H5BrClN

SMILES: ClC1=CC2=CC(Br)=NC=C2C=C1

IUPAC: 3-bromo-6-chloroisoquinoline

InChI: InChI=1S/C9H5BrClN/c10-9-4-7-3-8(11)2-1-6(7)5-12-9/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	NAABYMOOMLEFPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.62
Topological Polar Surface Area	12.89
Polarizability	21.59
Ring Count	2
Rotatable Bond Count	0

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