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13201-86-0 | Urea, N,N'-bis(2-nitrophenyl)-
CAS No: 13201-86-0 Catalog No: AG001031 MDL No:
Product Description
Catalog Number:
AG001031
Chemical Name:
Urea, N,N'-bis(2-nitrophenyl)-
CAS Number:
13201-86-0
Molecular Formula:
C13H10N4O5
Molecular Weight:
302.2423
IUPAC Name:
1,3-bis(2-nitrophenyl)urea
InChI:
InChI=1S/C13H10N4O5/c18-13(14-9-5-1-3-7-11(9)16(19)20)15-10-6-2-4-8-12(10)17(21)22/h1-8H,(H2,14,15,18)
InChI Key:
QZLBMMPGNZXIAO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-]
NSC Number:
49342
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.246g/mol
Monoisotopic Mass:
302.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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