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306935-72-8 | 2-Butenoic acid, 4-[(2,4-dichlorophenyl)amino]-4-oxo-
CAS No: 306935-72-8 Catalog No: AG0030WJ MDL No:
Product Description
Catalog Number:
AG0030WJ
Chemical Name:
2-Butenoic acid, 4-[(2,4-dichlorophenyl)amino]-4-oxo-
CAS Number:
306935-72-8
Molecular Formula:
C10H7Cl2NO3
Molecular Weight:
260.0735
IUPAC Name:
4-(2,4-dichloroanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H7Cl2NO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)
InChI Key:
WFWKZRKAECLVSE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1Cl)Cl)C=CC(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.07g/mol
Monoisotopic Mass:
258.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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