Home Nitros 2-Benzyl-5-nitroisoindoline

2-Benzyl-5-nitroisoindoline

CAS No.:
127168-68-7
Catalog Number:
AG000WQH
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$224
- +
1g
95%
1 week
United States
$503
- +
Product Description
Catalog Number:
AG000WQH
Chemical Name:
2-Benzyl-5-nitroisoindoline
CAS Number:
127168-68-7
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
MDL Number:
MFCD12406115
IUPAC Name:
2-benzyl-5-nitro-1,3-dihydroisoindole
InChI:
InChI=1S/C15H14N2O2/c18-17(19)15-7-6-13-10-16(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-8H,9-11H2
InChI Key:
YOSBGQUETRDJDU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CN(C2)Cc1ccccc1
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties