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141046-77-7 | 2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, 1,4-dimethyl ester
CAS No: 141046-77-7 Catalog No: AG001FS7 MDL No:
Product Description
Catalog Number:
AG001FS7
Chemical Name:
2-Butenedioic acid, 2-[(3,5-dichlorophenyl)amino]-, 1,4-dimethyl ester
CAS Number:
141046-77-7
Molecular Formula:
C12H11Cl2NO4
Molecular Weight:
304.1260
IUPAC Name:
dimethyl 2-(3,5-dichloroanilino)but-2-enedioate
InChI:
InChI=1S/C12H11Cl2NO4/c1-18-11(16)6-10(12(17)19-2)15-9-4-7(13)3-8(14)5-9/h3-6,15H,1-2H3
InChI Key:
BIOBEAFZXLGZCM-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CC(=O)OC)Nc1cc(Cl)cc(c1)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.123g/mol
Monoisotopic Mass:
303.007g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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