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83323-14-2 | Benzoic acid, 4-[(1-chloro-2-oxopropylidene)hydrazino]-, ethyl ester
CAS No: 83323-14-2 Catalog No: AG004X9H MDL No:
Product Description
Catalog Number:
AG004X9H
Chemical Name:
Benzoic acid, 4-[(1-chloro-2-oxopropylidene)hydrazino]-, ethyl ester
CAS Number:
83323-14-2
Molecular Formula:
C12H13ClN2O3
Molecular Weight:
268.6962
IUPAC Name:
ethyl 4-[2-(1-chloro-2-oxopropylidene)hydrazinyl]benzoate
InChI:
InChI=1S/C12H13ClN2O3/c1-3-18-12(17)9-4-6-10(7-5-9)14-15-11(13)8(2)16/h4-7,14H,3H2,1-2H3
InChI Key:
KZWVBXSLEOLBRP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NN=C(C(=O)C)Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.697g/mol
Monoisotopic Mass:
268.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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