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114415-02-0 | Urea, N-[2-(dimethylamino)-5-nitrophenyl]-N'-methyl-
CAS No: 114415-02-0 Catalog No: AG000BAN MDL No:
Product Description
Catalog Number:
AG000BAN
Chemical Name:
Urea, N-[2-(dimethylamino)-5-nitrophenyl]-N'-methyl-
CAS Number:
114415-02-0
Molecular Formula:
C10H14N4O3
Molecular Weight:
238.2432
IUPAC Name:
1-[2-(dimethylamino)-5-nitrophenyl]-3-methylurea
InChI:
InChI=1S/C10H14N4O3/c1-11-10(15)12-8-6-7(14(16)17)4-5-9(8)13(2)3/h4-6H,1-3H3,(H2,11,12,15)
InChI Key:
CHDDRRUCCCFNOI-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1cc(ccc1N(C)C)[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.247g/mol
Monoisotopic Mass:
238.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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