4-Bromoquinolin-7-ol

CAT: 0127-OR82036Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR82036Size:100 mg

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

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CAS Number

181950-60-7

Purity

95%

Smiles

C1=CC2=C(C=CN=C2C=C1O)Br

Chemical Information

4-Bromoquinolin-7-ol

CAS Number	181950-60-7
PubChem CID	135742164
IUPAC Name	4-bromoquinolin-7-ol
Molecular Formula	C9H6BrNO
Molecular Weight	224.05
XLogP	2.7
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC2=C(C=CN=C2C=C1O)Br

InChI

InChI=1S/C9H6BrNO/c10-8-3-4-11-9-5-6(12)1-2-7(8)9/h1-5,12H

InChIKey

RCUKNOKAORMYMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 181950-60-7

CID: 135742164

Formula: C9H6BrNO

MW: 224.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.05
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	222.96328
Monoisotopic Mass	222.96328
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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