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Home Nitriles 2-Quinoxalineacetonitrile

2-Quinoxalineacetonitrile

CAS No.:
14068-13-4
Catalog Number:
AG001COT
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
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Product Description
Catalog Number:
AG001COT
Chemical Name:
2-Quinoxalineacetonitrile
CAS Number:
14068-13-4
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD18292020
IUPAC Name:
2-quinoxalin-2-ylacetonitrile
InChI:
InChI=1S/C10H7N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7H,5H2
InChI Key:
IYSRPUZNTHPOHK-UHFFFAOYSA-N
SMILES:
N#CCc1cnc2c(n1)cccc2
NSC Number:
155196
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties