200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 169044-97-7
169044-97-7 | 1H-Isoindol-1-one, 2,3-dihydro-7-nitro-
CAS No: 169044-97-7 Catalog No: AG001YG7 MDL No:MFCD09376378
Product Description
Catalog Number:
AG001YG7
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-7-nitro-
CAS Number:
169044-97-7
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD09376378
IUPAC Name:
7-nitro-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C8H6N2O3/c11-8-7-5(4-9-8)2-1-3-6(7)10(12)13/h1-3H,4H2,(H,9,11)
InChI Key:
LCDQMYJTXPCJLX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1C(=O)NC2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.