5-Bromoquinolin-8-amine

CAT: 0926-FB127216-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FB127216-01Size:25 g

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CAS Number

53472-18-7

Synonyms

8-quinolinamine, 5-bromo-

MDL Number

MFCD01571832

Smiles

C1=CC2=C (C=CC (=C2N=C1) N) Br

Molecular Formula

C9H7BrN2

Molecular Weight

223.07 g/mol

Controlled

Chemical Information

5-Bromo-quinolin-8-ylamine

CAS Number	53472-18-7
PubChem CID	613829
IUPAC Name	5-bromoquinolin-8-amine
Molecular Formula	C9H7BrN2
Molecular Weight	223.07
XLogP	2.6
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=CC2=C(C=CC(=C2N=C1)N)Br

InChI

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

InChIKey

GEABITRRZOHARP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53472-18-7

CID: 613829

Formula: C9H7BrN2

MW: 223.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.07
XLogP3	2.6
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
OR74971-01	8-Bromoquinolin-5-amine
OR1011837-01	5-bromoquinolin-8-amine
OR451420-01	5-Bromoquinolin-8-amine hydrochloride
424714-01	3-Bromoquinolin-8-amine
OR1040362-01	7-Bromoquinolin-8-amine
OR1073520-01	8-Bromoquinolin-2-amine
OR86805-01	4-Bromoquinolin-8-amine
JH920236	2-Bromoquinolin-8-amine
OR1044491-01	8-Bromoquinolin-6-amine
OR73615-01	8-Bromoquinolin-3-amine