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Home > Nitro Compounds > 339111-00-1
339111-00-1 | 3,3-dimethyl-1-[2-(2-nitroethyl)phenyl]urea
CAS No: 339111-00-1 Catalog No: AG00IW0G MDL No:MFCD00974365
Product Description
Catalog Number:
AG00IW0G
Chemical Name:
3,3-dimethyl-1-[2-(2-nitroethyl)phenyl]urea
CAS Number:
339111-00-1
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD00974365
IUPAC Name:
1,1-dimethyl-3-[2-(2-nitroethyl)phenyl]urea
InChI:
InChI=1S/C11H15N3O3/c1-13(2)11(15)12-10-6-4-3-5-9(10)7-8-14(16)17/h3-6H,7-8H2,1-2H3,(H,12,15)
InChI Key:
SQOKFACLDGDZMZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1ccccc1NC(=O)N(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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