Home Halogens 8-bromoquinoxaline-6-carboxylic acid

8-bromoquinoxaline-6-carboxylic acid

CAS No.:
1378260-89-9
Catalog Number:
AG01C7D0
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
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Product Description
Catalog Number:
AG01C7D0
Chemical Name:
8-bromoquinoxaline-6-carboxylic acid
CAS Number:
1378260-89-9
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD22371614
IUPAC Name:
8-bromoquinoxaline-6-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O2/c10-6-3-5(9(13)14)4-7-8(6)12-2-1-11-7/h1-4H,(H,13,14)
InChI Key:
YTGWEQGMSZLMDS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2nccnc2c(c1)Br
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.055g/mol
Monoisotopic Mass:
251.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties