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821009-86-3 | Acetic acid, cyanotetrazolo[1,5-a]quinoxalin-4(5H)-ylidene-, ethyl ester
CAS No: 821009-86-3 Catalog No: AG0051IZ MDL No:
Product Description
Catalog Number:
AG0051IZ
Chemical Name:
Acetic acid, cyanotetrazolo[1,5-a]quinoxalin-4(5H)-ylidene-, ethyl ester
CAS Number:
821009-86-3
Molecular Formula:
C13H10N6O2
Molecular Weight:
282.2575
IUPAC Name:
ethyl 2-cyano-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate
InChI:
InChI=1S/C13H10N6O2/c1-2-21-13(20)8(7-14)11-12-16-17-18-19(12)10-6-4-3-5-9(10)15-11/h3-6,15H,2H2,1H3
InChI Key:
UOOOEGOGQWCOBF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=c1[nH]c2ccccc2n2c1nnn2)C#N
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.263g/mol
Monoisotopic Mass:
282.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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