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Home > Nitro Compounds > 19007-49-9
19007-49-9 | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
CAS No: 19007-49-9 Catalog No: AG00IZYD MDL No:MFCD00111047
Product Description
Catalog Number:
AG00IZYD
Chemical Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
CAS Number:
19007-49-9
Molecular Formula:
C17H18N2O5
Molecular Weight:
330.3352
MDL Number:
MFCD00111047
IUPAC Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitrobenzamide
InChI:
InChI=1S/C17H18N2O5/c1-23-15-8-7-12(11-16(15)24-2)9-10-18-17(20)13-5-3-4-6-14(13)19(21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChI Key:
YWFDPMZSVPNYHJ-UHFFFAOYSA-N
SMILES:
COc1cc(CCNC(=O)c2ccccc2[N+](=O)[O-])ccc1OC
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.34g/mol
Monoisotopic Mass:
330.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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