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201225-95-8 | Butanoic acid, 3-[(2-chlorophenyl)imino]-, ethyl ester
CAS No: 201225-95-8 Catalog No: AG002DAA MDL No:
Product Description
Catalog Number:
AG002DAA
Chemical Name:
Butanoic acid, 3-[(2-chlorophenyl)imino]-, ethyl ester
CAS Number:
201225-95-8
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
IUPAC Name:
ethyl 3-(2-chlorophenyl)iminobutanoate
InChI:
InChI=1S/C12H14ClNO2/c1-3-16-12(15)8-9(2)14-11-7-5-4-6-10(11)13/h4-7H,3,8H2,1-2H3
InChI Key:
WRJQPGDNGIOFCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=Nc1ccccc1Cl)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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