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1227271-67-1 | Butanoic acid, 2-[2-(2-chloro-3-methylphenyl)hydrazinylidene]-, ethyl ester
CAS No: 1227271-67-1 Catalog No: AG000J7J MDL No:
Product Description
Catalog Number:
AG000J7J
Chemical Name:
Butanoic acid, 2-[2-(2-chloro-3-methylphenyl)hydrazinylidene]-, ethyl ester
CAS Number:
1227271-67-1
Molecular Formula:
C13H17ClN2O2
Molecular Weight:
268.7393
IUPAC Name:
ethyl (2E)-2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate
InChI:
InChI=1S/C13H17ClN2O2/c1-4-10(13(17)18-5-2)15-16-11-8-6-7-9(3)12(11)14/h6-8,16H,4-5H2,1-3H3/b15-10+
InChI Key:
NGLOFQLMOLLEQO-XNTDXEJSSA-N
SMILES:
CCOC(=O)C(=NNc1cccc(c1Cl)C)CC
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
268.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.741g/mol
Monoisotopic Mass:
268.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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