200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 70826-95-8
70826-95-8 | 1,1-diethyl-3-(4-nitrophenyl)urea
CAS No: 70826-95-8 Catalog No: AG005FU1 MDL No:
Product Description
Catalog Number:
AG005FU1
Chemical Name:
1,1-diethyl-3-(4-nitrophenyl)urea
CAS Number:
70826-95-8
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
IUPAC Name:
1,1-diethyl-3-(4-nitrophenyl)urea
InChI:
InChI=1S/C11H15N3O3/c1-3-13(4-2)11(15)12-9-5-7-10(8-6-9)14(16)17/h5-8H,3-4H2,1-2H3,(H,12,15)
InChI Key:
INAOWOSITURWKE-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Nc1ccc(cc1)[N+](=O)[O-])CC
NSC Number:
112706
Properties
Complexity:
266
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:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.