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1259224-12-8 | Isoquinoline, 3-chloro-6-methyl-
CAS No: 1259224-12-8 Catalog No: AG000OZ9 MDL No:
Product Description
Catalog Number:
AG000OZ9
Chemical Name:
Isoquinoline, 3-chloro-6-methyl-
CAS Number:
1259224-12-8
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
IUPAC Name:
3-chloro-6-methylisoquinoline
InChI:
InChI=1S/C10H8ClN/c1-7-2-3-8-6-12-10(11)5-9(8)4-7/h2-6H,1H3
InChI Key:
IIKLBKPDZFJVKF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc(nc2)Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.631g/mol
Monoisotopic Mass:
177.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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