7-Bromo-5-methylquinoxaline

CAT: 0926-HWA93495-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-HWA93495-01Size:0.5 g

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CAS Number

532934-95-5

MDL Number

MFCD16987767

Smiles

CC1=CC (=CC2=NC=CN=C12) Br

Molecular Formula

C9H7BrN2

Molecular Weight

223.07 g/mol

Controlled

Chemical Information

7-Bromo-5-methylquinoxaline

CAS Number	532934-95-5
PubChem CID	45117467
IUPAC Name	7-bromo-5-methylquinoxaline
Molecular Formula	C9H7BrN2
Molecular Weight	223.07
XLogP	2.7
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

CC1=CC(=CC2=NC=CN=C12)Br

InChI

InChI=1S/C9H7BrN2/c1-6-4-7(10)5-8-9(6)12-3-2-11-8/h2-5H,1H3

InChIKey

DGGITVDNUKFNTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 532934-95-5

CID: 45117467

Formula: C9H7BrN2

MW: 223.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.07
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	221.97926
Monoisotopic Mass	221.97926
Topological Polar Surface Area	25.8 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
TBB27642-01	5-Bromo-7-methylquinoxaline
WAB50480-01	6-Bromo-7-methylquinoxaline
UAA85369-01	5,7-Dichloro-6-methylquinoxaline
WAA59495-01	2-Bromo-3-methylquinoxaline
BJD94567-01	5-Bromo-7-fluoro-8-methylquinoline
KAA35182-01	7-Methylquinoxaline-6-carboxylic acid
YDA41672-01	6-bromo-2-chloro-3-methylquinoxaline
ZXC47807-01	5-Bromo-7-methoxyisoquinoline
PZB46297-01	5-bromo-7-fluoroquinoline
DFC86076-01	7-Bromo-5-methoxyquinoline

Catalog	Name
OR82019-01	7-Bromo-5-methylquinoxaline
OR111498-01	6-Bromo-7-methylquinoxaline
OR77733-01	6-Bromo-5-methylquinoxaline
OR1038389-01	5-Bromo-8-methylquinoxaline
sc-254854	5-Methylquinoxaline
OR909336-01	6-Chloro-7-methylquinoxaline
OR903996-01	2-Chloro-7-methylquinoxaline
D460690	6,7-Dimethoxy-2-methylquinoxaline
OR1004374	6-Fluoro-5-methylquinoxaline
OR1047262-01	5-Chloro-8-methylquinoxaline