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Home > Nitro Compounds > 455887-65-7
455887-65-7 | N-(3,4-dimethoxyphenyl)-2-nitrobenzamide
CAS No: 455887-65-7 Catalog No: AG00IV6F MDL No:MFCD00170747
Product Description
Catalog Number:
AG00IV6F
Chemical Name:
N-(3,4-dimethoxyphenyl)-2-nitrobenzamide
CAS Number:
455887-65-7
Molecular Formula:
C15H14N2O5
Molecular Weight:
302.2821
MDL Number:
MFCD00170747
IUPAC Name:
N-(3,4-dimethoxyphenyl)-2-nitrobenzamide
InChI:
InChI=1S/C15H14N2O5/c1-21-13-8-7-10(9-14(13)22-2)16-15(18)11-5-3-4-6-12(11)17(19)20/h3-9H,1-2H3,(H,16,18)
InChI Key:
DMTIPURYTPEYCG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)NC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.286g/mol
Monoisotopic Mass:
302.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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