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23093-93-8 | Butanoic acid, 4-[[4-[[(4-nitrophenyl)sulfonyl]amino]phenyl]amino]-4-oxo-
CAS No: 23093-93-8 Catalog No: AG002M6X MDL No:
Product Description
Catalog Number:
AG002M6X
Chemical Name:
Butanoic acid, 4-[[4-[[(4-nitrophenyl)sulfonyl]amino]phenyl]amino]-4-oxo-
CAS Number:
23093-93-8
Molecular Formula:
C16H15N3O7S
Molecular Weight:
393.3712
IUPAC Name:
4-[4-[(4-nitrophenyl)sulfonylamino]anilino]-4-oxobutanoic acid
InChI:
InChI=1S/C16H15N3O7S/c20-15(9-10-16(21)22)17-11-1-3-12(4-2-11)18-27(25,26)14-7-5-13(6-8-14)19(23)24/h1-8,18H,9-10H2,(H,17,20)(H,21,22)
InChI Key:
YCQITKSJXRHLTF-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])CCC(=O)O
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.063g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
393.37g/mol
Monoisotopic Mass:
393.063g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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