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89543-25-9 | 2-Butenoic acid, 2-chloro-4-[(4-methoxyphenyl)amino]-4-oxo-, (E)-
CAS No: 89543-25-9 Catalog No: AG00401A MDL No:
Product Description
Catalog Number:
AG00401A
Chemical Name:
2-Butenoic acid, 2-chloro-4-[(4-methoxyphenyl)amino]-4-oxo-, (E)-
CAS Number:
89543-25-9
Molecular Formula:
C11H10ClNO4
Molecular Weight:
255.6544
IUPAC Name:
2-chloro-4-(4-methoxyanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10ClNO4/c1-17-8-4-2-7(3-5-8)13-10(14)6-9(12)11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)
InChI Key:
MERRSBIKZSNSFK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)/C=C(\C(=O)O)/Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.654g/mol
Monoisotopic Mass:
255.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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