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14123-76-3 | Isoquinoline, 6-chloro-3-methyl-
CAS No: 14123-76-3 Catalog No: AG001G3N MDL No:MFCD11110658
Product Description
Catalog Number:
AG001G3N
Chemical Name:
Isoquinoline, 6-chloro-3-methyl-
CAS Number:
14123-76-3
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
MDL Number:
MFCD11110658
IUPAC Name:
6-chloro-3-methylisoquinoline
InChI:
InChI=1S/C10H8ClN/c1-7-4-9-5-10(11)3-2-8(9)6-12-7/h2-6H,1H3
InChI Key:
VLPNHJHAQSABQP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(nc2)C
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:
3.3
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