5-Bromo-8-methylquinoline

CAT: 0024-sc-299778Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-299778Size:1 g

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CAS Number

74316-55-5

Chemical Information

5-Bromo-8-methylquinoline

CAS Number	74316-55-5
PubChem CID	4715022
IUPAC Name	5-bromo-8-methylquinoline
Molecular Formula	C10H8BrN
Molecular Weight	222.08
XLogP	3.2
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

CC1=C2C(=C(C=C1)Br)C=CC=N2

InChI

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

InChIKey

REIFWJGDIKRUSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74316-55-5

CID: 4715022

Formula: C10H8BrN

MW: 222.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.08
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	220.98401
Monoisotopic Mass	220.98401
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-289983	4-Bromo-5-chloro-8-methylquinoline
sc-289983A	4-Bromo-5-chloro-8-methylquinoline
sc-487414	8-Bromo-2-methylquinoline
sc-300067A	7-Bromo-8-methylquinoline
sc-300067	7-Bromo-8-methylquinoline
sc-290086A	4-Bromo-8-methylquinoline
sc-290086	4-Bromo-8-methylquinoline
sc-289997	4-Bromo-5,8-difluoro-2-methylquinoline
sc-289994A	4-Bromo-5,8-dichloro-2-methylquinoline
sc-289994	4-Bromo-5,8-dichloro-2-methylquinoline

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PC1005892-01	5-Bromo-8-fluoro-2-methylquinoline
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