2-Bromoquinolin-4-amine

CAT: 0127-OR77476-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR77476-01Size:250 mg

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CAS Number

36825-35-1

MDL Number

MFCD08705640

Purity

98%

Smiles

BrC1=NC2=CC=CC=C2C(N)=C1

Chemical Information

2-Bromoquinolin-4-amine

CAS Number	36825-35-1
PubChem CID	23131902
IUPAC Name	2-bromoquinolin-4-amine
Molecular Formula	C9H7BrN2
Molecular Weight	223.07
XLogP	2.5
Topological Polar Surface Area	38.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

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

InChI

InChI=1S/C9H7BrN2/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)

InChIKey

ABCXIORVMZVFKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36825-35-1

CID: 23131902

Formula: C9H7BrN2

MW: 223.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.07
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	221.97926
Monoisotopic Mass	221.97926
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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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OR1073520-01	8-Bromoquinolin-2-amine
OR77540-01	5-Bromoquinolin-2-amine
OR54430	6-Bromoquinolin-2-amine
OR1005549-01	3-Bromoquinolin-2-amine
OR1047002-01	2-Bromoquinolin-6-amine
OR1076121	N- (2-Aminoethyl) -6-bromoquinolin-4-amine
OR1040362-01	7-Bromoquinolin-8-amine