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Home > Nitro Compounds > 23139-01-7
23139-01-7 | Urea, N'-(4-ethylphenyl)-N-methyl-N-nitroso-
CAS No: 23139-01-7 Catalog No: AG002MAY MDL No:
Product Description
Catalog Number:
AG002MAY
Chemical Name:
Urea, N'-(4-ethylphenyl)-N-methyl-N-nitroso-
CAS Number:
23139-01-7
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
IUPAC Name:
3-(4-ethylphenyl)-1-methyl-1-nitrosourea
InChI:
InChI=1S/C10H13N3O2/c1-3-8-4-6-9(7-5-8)11-10(14)13(2)12-15/h4-7H,3H2,1-2H3,(H,11,14)
InChI Key:
VOMGRJMZJATNHL-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)NC(=O)N(N=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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