7-Bromo-5-methoxyquinoline

CAT: 0127-OR510163-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR510163-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1378860-76-4

MDL Number

MFCD11878498

Purity

98%

Smiles

COc1cc(Br)cc2ncccc12

Chemical Information

7-Bromo-5-methoxyquinoline

CAS Number	1378860-76-4
PubChem CID	71237812
IUPAC Name	7-bromo-5-methoxyquinoline
Molecular Formula	C10H8BrNO
Molecular Weight	238.08
XLogP	2.9
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

COC1=CC(=CC2=C1C=CC=N2)Br

InChI

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

InChIKey

HPWCKYVAFXPEGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378860-76-4

CID: 71237812

Formula: C10H8BrNO

MW: 238.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.08
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	236.97893
Monoisotopic Mass	236.97893
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
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
OR84002-01	5-Bromo-7-methoxyquinoline
OR510079	7-Bromo-5-chloro-8-methoxyquinoline
OR1034705-01	7-Bromo-4-methoxyquinoline
OR82270-01	7-Bromo-8-methoxyquinoline
OR91418	8-Bromo-7-methoxyquinoline
OR75677-01	7-Bromo-2-methoxyquinoline
OR80044-01	3-Bromo-7-methoxyquinoline
OR302186-01	4-Bromo-7-methoxyquinoline
OR1063541-01	7-Bromo-3-methoxyquinoline
OR87384-01	7-Bromo-6-methoxyquinoline