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174873-76-8 | 1-Isoquinolinecarbonyl chloride, 8-methyl-
CAS No: 174873-76-8 Catalog No: AG001ZZX MDL No:
Product Description
Catalog Number:
AG001ZZX
Chemical Name:
1-Isoquinolinecarbonyl chloride, 8-methyl-
CAS Number:
174873-76-8
Molecular Formula:
C11H8ClNO
Molecular Weight:
205.6403
IUPAC Name:
8-methylisoquinoline-1-carbonyl chloride
InChI:
InChI=1S/C11H8ClNO/c1-7-3-2-4-8-5-6-13-10(9(7)8)11(12)14/h2-6H,1H3
InChI Key:
GTICIHOCOPVYSG-UHFFFAOYSA-N
SMILES:
ClC(=O)c1nccc2c1c(C)ccc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.641g/mol
Monoisotopic Mass:
205.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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