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13142-12-6 | Urea, N-(4-bromophenyl)-N'-(3-nitrophenyl)-
CAS No: 13142-12-6 Catalog No: AG000W5H MDL No:
Product Description
Catalog Number:
AG000W5H
Chemical Name:
Urea, N-(4-bromophenyl)-N'-(3-nitrophenyl)-
CAS Number:
13142-12-6
Molecular Formula:
C13H10BrN3O3
Molecular Weight:
336.1408
IUPAC Name:
1-(4-bromophenyl)-3-(3-nitrophenyl)urea
InChI:
InChI=1S/C13H10BrN3O3/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(8-11)17(19)20/h1-8H,(H2,15,16,18)
InChI Key:
APXPWTIKMNCASL-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.991g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.145g/mol
Monoisotopic Mass:
334.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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