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5-bromo-8-methoxyisoquinoline

5-bromo-8-methoxyisoquinoline

CAS: 679433-91-1

Formula: C10H8BrNO

SMILES: COC1=CC=C(Br)C2=CC=NC=C12

IUPAC: 5-bromo-8-methoxyisoquinoline

InChI: InChI=1S/C10H8BrNO/c1-13-10-3-2-9(11)7-4-5-12-6-8(7)10/h2-6H,1H3

Composition: C (50.45%), H (3.39%), Br (33.56%), N (5.88%), O (6.72%)

Molar Mass: 238.084

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 236.978927
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JBWGLXQEEJHTHI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.44
Topological Polar Surface Area 22.12
Polarizability 22.15
Ring Count 2
Rotatable Bond Count 1

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