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Home > Nitro Compounds > 339016-55-6
339016-55-6 | 2-(2-nitroethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CAS No: 339016-55-6 Catalog No: AG00IVKA MDL No:MFCD00974357
Product Description
Catalog Number:
AG00IVKA
Chemical Name:
2-(2-nitroethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CAS Number:
339016-55-6
Molecular Formula:
C18H20N2O6
Molecular Weight:
360.3612
MDL Number:
MFCD00974357
IUPAC Name:
2-(2-nitroethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
InChI:
InChI=1S/C18H20N2O6/c1-24-15-10-13(11-16(25-2)17(15)26-3)19-18(21)14-7-5-4-6-12(14)8-9-20(22)23/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChI Key:
DGFHMBHIUVSPAE-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc(c1OC)OC
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.366g/mol
Monoisotopic Mass:
360.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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