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Home > Nitro Compounds > 120275-48-1
120275-48-1 | N-[(3,4-dimethoxyphenyl)methyl]-2-nitrobenzamide
CAS No: 120275-48-1 Catalog No: AG00IV52 MDL No:MFCD00170236
Product Description
Catalog Number:
AG00IV52
Chemical Name:
N-[(3,4-dimethoxyphenyl)methyl]-2-nitrobenzamide
CAS Number:
120275-48-1
Molecular Formula:
C16H16N2O5
Molecular Weight:
316.3086
MDL Number:
MFCD00170236
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]-2-nitrobenzamide
InChI:
InChI=1S/C16H16N2O5/c1-22-14-8-7-11(9-15(14)23-2)10-17-16(19)12-5-3-4-6-13(12)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChI Key:
RDEJEIGCUKHTTK-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccc1OC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.313g/mol
Monoisotopic Mass:
316.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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