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885278-80-8 | Indoline-4-carbonitrile hydrochloride
CAS No: 885278-80-8 Catalog No: AG0047AQ MDL No:MFCD07371632
Product Description
Catalog Number:
AG0047AQ
Chemical Name:
Indoline-4-carbonitrile hydrochloride
CAS Number:
885278-80-8
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD07371632
IUPAC Name:
2,3-dihydro-1H-indole-4-carbonitrile
InChI:
InChI=1S/C9H8N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-3,11H,4-5H2
InChI Key:
QRRLRJLHVTVIEF-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1CCN2.Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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