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848088-40-4 | Butanoic acid, 3-[(3-chloro-2-quinoxalinyl)hydrazono]-, ethyl ester
CAS No: 848088-40-4 Catalog No: AG004NFK MDL No:
Product Description
Catalog Number:
AG004NFK
Chemical Name:
Butanoic acid, 3-[(3-chloro-2-quinoxalinyl)hydrazono]-, ethyl ester
CAS Number:
848088-40-4
Molecular Formula:
C14H15ClN4O2
Molecular Weight:
306.7475
IUPAC Name:
ethyl 3-[(3-chloroquinoxalin-2-yl)hydrazinylidene]butanoate
InChI:
InChI=1S/C14H15ClN4O2/c1-3-21-12(20)8-9(2)18-19-14-13(15)16-10-6-4-5-7-11(10)17-14/h4-7H,3,8H2,1-2H3,(H,17,19)
InChI Key:
CHURHXHZLNWFHV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=NNc1nc2ccccc2nc1Cl)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.75g/mol
Monoisotopic Mass:
306.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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