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Home > Nitro Compounds > 1696207-04-1
1696207-04-1 | 3,3-dimethyl-1-(2-methyl-5-nitrophenyl)urea
CAS No: 1696207-04-1 Catalog No: AG01BFAP MDL No:MFCD28139373
Product Description
Catalog Number:
AG01BFAP
Chemical Name:
3,3-dimethyl-1-(2-methyl-5-nitrophenyl)urea
CAS Number:
1696207-04-1
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
MDL Number:
MFCD28139373
IUPAC Name:
1,1-dimethyl-3-(2-methyl-5-nitrophenyl)urea
InChI:
InChI=1S/C10H13N3O3/c1-7-4-5-8(13(15)16)6-9(7)11-10(14)12(2)3/h4-6H,1-3H3,(H,11,14)
InChI Key:
JEBAJPLOVQYDOG-UHFFFAOYSA-N
SMILES:
CN(C(=O)Nc1cc(ccc1C)[N+](=O)[O-])C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.232g/mol
Monoisotopic Mass:
223.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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