Home Halogens 4-chloro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

4-chloro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

CAS No.:
1263180-54-6
Catalog Number:
AG01DHLZ
Molecular Formula:
C10H5ClN4O2
Molecular Weight:
248.6253
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Product Description
Catalog Number:
AG01DHLZ
Chemical Name:
4-chloro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CAS Number:
1263180-54-6
Molecular Formula:
C10H5ClN4O2
Molecular Weight:
248.6253
MDL Number:
MFCD14581107
IUPAC Name:
4-chloro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
InChI:
InChI=1S/C10H5ClN4O2/c11-7-9-13-8(10(16)17)14-15(9)6-4-2-1-3-5(6)12-7/h1-4H,(H,16,17)
InChI Key:
WOZBIMTXLAYVPU-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn2c(n1)c(Cl)nc1c2cccc1
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.01g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.626g/mol
Monoisotopic Mass:
248.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties