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Home > Indoles and Oxindole > 400727-69-7
400727-69-7 | 5-nitro-2,3-dihydro-1H-isoindole hydrochloride
CAS No: 400727-69-7 Catalog No: AG00379C MDL No:MFCD08234716
Product Description
Catalog Number:
AG00379C
Chemical Name:
5-nitro-2,3-dihydro-1H-isoindole hydrochloride
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
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