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Home > Nitro Compounds > 481053-42-3
481053-42-3 | N-(2,2-dimethoxyethyl)-4-nitrobenzamide
CAS No: 481053-42-3 Catalog No: AG01BFVE MDL No:MFCD18044678
Product Description
Catalog Number:
AG01BFVE
Chemical Name:
N-(2,2-dimethoxyethyl)-4-nitrobenzamide
CAS Number:
481053-42-3
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
MDL Number:
MFCD18044678
IUPAC Name:
N-(2,2-dimethoxyethyl)-4-nitrobenzamide
InChI:
InChI=1S/C11H14N2O5/c1-17-10(18-2)7-12-11(14)8-3-5-9(6-4-8)13(15)16/h3-6,10H,7H2,1-2H3,(H,12,14)
InChI Key:
JNFSCTMIDDWUKA-UHFFFAOYSA-N
SMILES:
COC(CNC(=O)c1ccc(cc1)[N+](=O)[O-])OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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