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141890-86-0 | Butanoic acid, 4-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-oxo-
CAS No: 141890-86-0 Catalog No: AG001HB9 MDL No:
Product Description
Catalog Number:
AG001HB9
Chemical Name:
Butanoic acid, 4-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-oxo-
CAS Number:
141890-86-0
Molecular Formula:
C10H9Cl2NO4
Molecular Weight:
278.0888
IUPAC Name:
4-(3,5-dichloro-4-hydroxyanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C10H9Cl2NO4/c11-6-3-5(4-7(12)10(6)17)13-8(14)1-2-9(15)16/h3-4,17H,1-2H2,(H,13,14)(H,15,16)
InChI Key:
APIAQUZXQINRLM-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(Cl)c(c(c1)Cl)O)CCC(=O)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.991g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.085g/mol
Monoisotopic Mass:
276.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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