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821009-84-1 | Acetic acid, cyano(3,7-dichloro-2(1H)-quinoxalinylidene)-, ethyl ester
CAS No: 821009-84-1 Catalog No: AG0051J0 MDL No:
Product Description
Catalog Number:
AG0051J0
Chemical Name:
Acetic acid, cyano(3,7-dichloro-2(1H)-quinoxalinylidene)-, ethyl ester
CAS Number:
821009-84-1
Molecular Formula:
C13H9Cl2N3O2
Molecular Weight:
310.1355
IUPAC Name:
ethyl 2-cyano-2-(3,7-dichloro-1H-quinoxalin-2-ylidene)acetate
InChI:
InChI=1S/C13H9Cl2N3O2/c1-2-20-13(19)8(6-16)11-12(15)18-9-4-3-7(14)5-10(9)17-11/h3-5,17H,2H2,1H3
InChI Key:
ILGKSMQUHHWMNH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=c1c(Cl)nc2c([nH]1)cc(cc2)Cl)C#N
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.134g/mol
Monoisotopic Mass:
309.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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