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89929-03-3 | 3-Isoquinolinecarbonyl chloride, 1,2-dihydro-2,4-dimethyl-1-oxo-
CAS No: 89929-03-3 Catalog No: AG006OA8 MDL No:
Product Description
Catalog Number:
AG006OA8
Chemical Name:
3-Isoquinolinecarbonyl chloride, 1,2-dihydro-2,4-dimethyl-1-oxo-
CAS Number:
89929-03-3
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
IUPAC Name:
2,4-dimethyl-1-oxoisoquinoline-3-carbonyl chloride
InChI:
InChI=1S/C12H10ClNO2/c1-7-8-5-3-4-6-9(8)12(16)14(2)10(7)11(13)15/h3-6H,1-2H3
InChI Key:
ZTAHESMSDLEBIA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(C)c2ccccc2c(=O)n1C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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