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Home > Nitro Compounds > 5310-92-9
5310-92-9 | 3-methyl-1-(3-nitrophenyl)urea
CAS No: 5310-92-9 Catalog No: AG019KP5 MDL No:MFCD00024337
Product Description
Catalog Number:
AG019KP5
Chemical Name:
3-methyl-1-(3-nitrophenyl)urea
CAS Number:
5310-92-9
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
MDL Number:
MFCD00024337
IUPAC Name:
1-methyl-3-(3-nitrophenyl)urea
InChI:
InChI=1S/C8H9N3O3/c1-9-8(12)10-6-3-2-4-7(5-6)11(13)14/h2-5H,1H3,(H2,9,10,12)
InChI Key:
VAKORNMFQJLMTJ-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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