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Home > Nitro Compounds > 88846-90-6
88846-90-6 | Urea, N-(2-hydroxy-4-nitrophenyl)-N'-(3-methoxyphenyl)-
CAS No: 88846-90-6 Catalog No: AG004AE1 MDL No:
Product Description
Catalog Number:
AG004AE1
Chemical Name:
Urea, N-(2-hydroxy-4-nitrophenyl)-N'-(3-methoxyphenyl)-
CAS Number:
88846-90-6
Molecular Formula:
C14H13N3O5
Molecular Weight:
303.2701
IUPAC Name:
1-(2-hydroxy-4-nitrophenyl)-3-(3-methoxyphenyl)urea
InChI:
InChI=1S/C14H13N3O5/c1-22-11-4-2-3-9(7-11)15-14(19)16-12-6-5-10(17(20)21)8-13(12)18/h2-8,18H,1H3,(H2,15,16,19)
InChI Key:
QZOTURNBPCCOPX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)Nc1ccc(cc1O)[N+](=O)[O-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.274g/mol
Monoisotopic Mass:
303.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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