Home Nitros N-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]-3-nitroaniline

N-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]-3-nitroaniline

CAS No.:
129882-06-0
Catalog Number:
AG01F5ZH
Molecular Formula:
C20H17N5O2
Molecular Weight:
359.3813
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
1 week
United States
$191
- +
1g
90%
1 week
United States
$344
- +
Product Description
Catalog Number:
AG01F5ZH
Chemical Name:
N-[1-(1H-1,2,3-Benzotriazol-1-yl)-2-phenylethyl]-3-nitroaniline
CAS Number:
129882-06-0
Molecular Formula:
C20H17N5O2
Molecular Weight:
359.3813
MDL Number:
MFCD00835240
IUPAC Name:
N-[1-(benzotriazol-1-yl)-2-phenylethyl]-3-nitroaniline
InChI:
InChI=1S/C20H17N5O2/c26-25(27)17-10-6-9-16(14-17)21-20(13-15-7-2-1-3-8-15)24-19-12-5-4-11-18(19)22-23-24/h1-12,14,20-21H,13H2
InChI Key:
XKTIIBCPUHAXLU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)NC(n1nnc2c1cccc2)Cc1ccccc1
Properties
Complexity:
493  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.138g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
359.389g/mol
Monoisotopic Mass:
359.138g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties