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Home > Nitro Compounds > 86996-79-4
86996-79-4 | Urea, N-(2-hydroxy-4-nitrophenyl)-N'-[4-(methylsulfonyl)phenyl]-
CAS No: 86996-79-4 Catalog No: AG004HCZ MDL No:
Product Description
Catalog Number:
AG004HCZ
Chemical Name:
Urea, N-(2-hydroxy-4-nitrophenyl)-N'-[4-(methylsulfonyl)phenyl]-
CAS Number:
86996-79-4
Molecular Formula:
C14H13N3O6S
Molecular Weight:
351.3345
IUPAC Name:
1-(2-hydroxy-4-nitrophenyl)-3-(4-methylsulfonylphenyl)urea
InChI:
InChI=1S/C14H13N3O6S/c1-24(22,23)11-5-2-9(3-6-11)15-14(19)16-12-7-4-10(17(20)21)8-13(12)18/h2-8,18H,1H3,(H2,15,16,19)
InChI Key:
CQZCRAIEWGFQPA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1O)[N+](=O)[O-])Nc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.053g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
351.333g/mol
Monoisotopic Mass:
351.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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