3-bromo-5-methoxyquinoline

3-bromo-5-methoxyquinoline

CAS: 1416438-38-4

Formula: C10H8BrNO

SMILES: COC1=CC=CC2=NC=C(Br)C=C12

IUPAC: 3-bromo-5-methoxyquinoline

InChI: InChI=1S/C10H8BrNO/c1-13-10-4-2-3-9-8(10)5-7(11)6-12-9/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	ZWDNTOJIDPGGDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.07
Topological Polar Surface Area	22.12
Polarizability	22.16
Ring Count	2
Rotatable Bond Count	1

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