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127168-76-7 | 1H-Isoindole, 5-chloro-2,3-dihydro-
CAS No: 127168-76-7 Catalog No: AG000WQE MDL No:MFCD11223563
Product Description
Catalog Number:
AG000WQE
Chemical Name:
1H-Isoindole, 5-chloro-2,3-dihydro-
CAS Number:
127168-76-7
Molecular Formula:
C8H8ClN
Molecular Weight:
153.6088
MDL Number:
MFCD11223563
IUPAC Name:
5-chloro-2,3-dihydro-1H-isoindole
InChI:
InChI=1S/C8H8ClN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2
InChI Key:
KDKRSWXFLFTSII-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CNC2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.609g/mol
Monoisotopic Mass:
153.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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