Home Other Building Blocks 5-Nitroisoindoline, HCl

5-Nitroisoindoline, HCl

CAS No.:
400727-69-7
Catalog Number:
AG00379C
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$163
- +
1g
95%
1 week
United States
$392
- +
Product Description
Catalog Number:
AG00379C
Chemical Name:
5-Nitroisoindoline, HCl
CAS Number:
400727-69-7
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
MDL Number:
MFCD08234716
IUPAC Name:
5-nitro-2,3-dihydro-1H-isoindole;hydrochloride
InChI:
InChI=1S/C8H8N2O2.ClH/c11-10(12)8-2-1-6-4-9-5-7(6)3-8;/h1-3,9H,4-5H2;1H
InChI Key:
ZUBXSPGLHKLBCF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CNC2.Cl
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.622g/mol
Monoisotopic Mass:
200.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties