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160315-07-1 | 1H-Pyrazolo[3,4-b]quinoxaline, 3-chloro-
CAS No: 160315-07-1 Catalog No: AG001RTN MDL No:
Product Description
Catalog Number:
AG001RTN
Chemical Name:
1H-Pyrazolo[3,4-b]quinoxaline, 3-chloro-
CAS Number:
160315-07-1
Molecular Formula:
C9H5ClN4
Molecular Weight:
204.6158
IUPAC Name:
3-chloro-2H-pyrazolo[4,3-b]quinoxaline
InChI:
InChI=1S/C9H5ClN4/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H,12,13,14)
InChI Key:
GHSHUHWQXKLQIU-UHFFFAOYSA-N
SMILES:
Clc1n[nH]c2c1nc1ccccc1n2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.617g/mol
Monoisotopic Mass:
204.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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