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Home > Nitro Compounds > 521313-28-0
521313-28-0 | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5-nitrobenzamide
CAS No: 521313-28-0 Catalog No: AG00IOYD MDL No:MFCD07021403
Product Description
Catalog Number:
AG00IOYD
Chemical Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5-nitrobenzamide
CAS Number:
521313-28-0
Molecular Formula:
C17H18N2O6
Molecular Weight:
346.3346
MDL Number:
MFCD07021403
IUPAC Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-5-nitrobenzamide
InChI:
InChI=1S/C17H18N2O6/c1-24-15-6-3-11(9-16(15)25-2)7-8-18-17(21)13-10-12(19(22)23)4-5-14(13)20/h3-6,9-10,20H,7-8H2,1-2H3,(H,18,21)
InChI Key:
YZDUQGVCABDIDJ-UHFFFAOYSA-N
SMILES:
COc1cc(CCNC(=O)c2cc(ccc2O)[N+](=O)[O-])ccc1OC
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.339g/mol
Monoisotopic Mass:
346.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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