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114328-56-2 | 2-Butenoic acid, 4-[(4-chlorophenyl)amino]-4-oxo-, (2E)-
CAS No: 114328-56-2 Catalog No: AG000B3F MDL No:
Product Description
Catalog Number:
AG000B3F
Chemical Name:
2-Butenoic acid, 4-[(4-chlorophenyl)amino]-4-oxo-, (2E)-
CAS Number:
114328-56-2
Molecular Formula:
C10H8ClNO3
Molecular Weight:
225.6284
IUPAC Name:
4-(4-chloroanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H8ClNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)
InChI Key:
FBTQVXSNFILAQY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)/C=C/C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.628g/mol
Monoisotopic Mass:
225.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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