3-Bromo-6-methoxyquinoline

CAT: 0926-PAA03696Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-PAA03696Size:2.5 g

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CAS Number

14036-96-5

MDL Number

MFCD09260428

Smiles

COC1=CC2=CC (=CN=C2C=C1) Br

Molecular Formula

C10H8BrNO

Molecular Weight

238.08 g/mol

Controlled

Chemical Information

3-Bromo-6-methoxyquinoline

CAS Number	14036-96-5
PubChem CID	14758587
IUPAC Name	3-bromo-6-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=CC2=CC(=CN=C2C=C1)Br

InChI

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

InChIKey

QRVOHWUZAXJDNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14036-96-5

CID: 14758587

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
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