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Home > Indoles and Oxindole > 1159823-51-4
1159823-51-4 | 1H-Isoindole-5-carbonitrile, 2,3-dihydro-, hydrochloride (1:1)
CAS No: 1159823-51-4 Catalog No: AG000HC8 MDL No:MFCD10700140
Product Description
Catalog Number:
AG000HC8
Chemical Name:
1H-Isoindole-5-carbonitrile, 2,3-dihydro-, hydrochloride (1:1)
CAS Number:
1159823-51-4
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD10700140
IUPAC Name:
2,3-dihydro-1H-isoindole-5-carbonitrile;hydrochloride
InChI:
InChI=1S/C9H8N2.ClH/c10-4-7-1-2-8-5-11-6-9(8)3-7;/h1-3,11H,5-6H2;1H
InChI Key:
DIGADCVKPVECTM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CNC2.Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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