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Home > Nitro Compounds > 88374-13-4
88374-13-4 | Urea, N-(4-nitrophenyl)-N'-(5-nitro-2-pyridinyl)-
CAS No: 88374-13-4 Catalog No: AG004ISS MDL No:
Product Description
Catalog Number:
AG004ISS
Chemical Name:
Urea, N-(4-nitrophenyl)-N'-(5-nitro-2-pyridinyl)-
CAS Number:
88374-13-4
Molecular Formula:
C12H9N5O5
Molecular Weight:
303.2304
IUPAC Name:
1-(4-nitrophenyl)-3-(5-nitropyridin-2-yl)urea
InChI:
InChI=1S/C12H9N5O5/c18-12(14-8-1-3-9(4-2-8)16(19)20)15-11-6-5-10(7-13-11)17(21)22/h1-7H,(H2,13,14,15,18)
InChI Key:
IERSNKSKMSYAEZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cn1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.234g/mol
Monoisotopic Mass:
303.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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