Home Nitros N-(3,4-Dimethoxybenzyl)-2-nitroaniline

N-(3,4-Dimethoxybenzyl)-2-nitroaniline

CAS No.:
5729-19-1
Catalog Number:
AG00J2NL
Molecular Formula:
C15H16N2O4
Molecular Weight:
288.2985
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J2NL
Chemical Name:
N-(3,4-Dimethoxybenzyl)-2-nitroaniline
CAS Number:
5729-19-1
Molecular Formula:
C15H16N2O4
Molecular Weight:
288.2985
MDL Number:
MFCD13681237
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]-2-nitroaniline
InChI:
InChI=1S/C15H16N2O4/c1-20-14-8-7-11(9-15(14)21-2)10-16-12-5-3-4-6-13(12)17(18)19/h3-9,16H,10H2,1-2H3
InChI Key:
GNUZCONTOLKVBR-UHFFFAOYSA-N
SMILES:
COc1cc(CNc2ccccc2[N+](=O)[O-])ccc1OC
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.111g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.303g/mol
Monoisotopic Mass:
288.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties