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Home > Nitro Compounds > 1803566-43-9
1803566-43-9 | 1-methyl-1-(3-nitrophenyl)urea
CAS No: 1803566-43-9 Catalog No: AG01BFAZ MDL No:MFCD28118550
Product Description
Catalog Number:
AG01BFAZ
Chemical Name:
1-methyl-1-(3-nitrophenyl)urea
CAS Number:
1803566-43-9
Molecular Formula:
C8H9N3O3
Molecular Weight:
195.1754
MDL Number:
MFCD28118550
IUPAC Name:
1-methyl-1-(3-nitrophenyl)urea
InChI:
InChI=1S/C8H9N3O3/c1-10(8(9)12)6-3-2-4-7(5-6)11(13)14/h2-5H,1H3,(H2,9,12)
InChI Key:
RKHSNFNOMNHMGF-UHFFFAOYSA-N
SMILES:
NC(=O)N(c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
239
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:
1
Isotope Atom Count:
0
Molecular Weight:
195.178g/mol
Monoisotopic Mass:
195.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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