Home Halogens 3-(chloromethyl)-1,2-dihydroisoquinolin-1-one

3-(chloromethyl)-1,2-dihydroisoquinolin-1-one

CAS No.:
1258640-51-5
Catalog Number:
AG01DUBL
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
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Product Description
Catalog Number:
AG01DUBL
Chemical Name:
3-(chloromethyl)-1,2-dihydroisoquinolin-1-one
CAS Number:
1258640-51-5
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
MDL Number:
MFCD17167199
IUPAC Name:
3-(chloromethyl)-8aH-isoquinolin-1-one
InChI:
InChI=1S/C10H8ClNO/c11-6-8-5-7-3-1-2-4-9(7)10(13)12-8/h1-5,9H,6H2
InChI Key:
VIMDAETTZYAEMD-UHFFFAOYSA-N
SMILES:
ClCc1cc2ccccc2c(=O)[nH]1
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.63g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties