5-bromo-1-chloro-6-methylisoquinoline

5-bromo-1-chloro-6-methylisoquinoline

CAS: 1245647-25-9

Formula: C10H7BrClN

SMILES: CC1=C(Br)C2=CC=NC(Cl)=C2C=C1

IUPAC: 5-bromo-1-chloro-6-methylisoquinoline

InChI: InChI=1S/C10H7BrClN/c1-6-2-3-8-7(9(6)11)4-5-13-10(8)12/h2-5H,1H3

Composition: C (46.82%), H (2.75%), Br (31.15%), Cl (13.82%), N (5.46%)

Molar Mass: 256.53

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.94504
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	FUUICJNIZASIEL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.88
Topological Polar Surface Area	12.89
Polarizability	23.35
Ring Count	2
Rotatable Bond Count	0

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