4-bromo-3-methylisoquinoline

4-bromo-3-methylisoquinoline

CAS: 133100-87-5

Formula: C10H8BrN

SMILES: CC1=C(Br)C2=CC=CC=C2C=N1

IUPAC: 4-bromo-3-methylisoquinoline

InChI: InChI=1S/C10H8BrN/c1-7-10(11)9-5-3-2-4-8(9)6-12-7/h2-6H,1H3

Composition: C (54.08%), H (3.63%), Br (35.98%), N (6.31%)

Molar Mass: 222.085

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	220.984012
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GAGBZCVLKGZXFY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.57
Topological Polar Surface Area	12.89
Polarizability	21.37
Ring Count	2
Rotatable Bond Count	0

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