Home Other Building Blocks 1-Chloro-7-methylisoquinoline

1-Chloro-7-methylisoquinoline

CAS No.:
24188-80-5
Catalog Number:
AG003E8D
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
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Product Description
Catalog Number:
AG003E8D
Chemical Name:
1-Chloro-7-methylisoquinoline
CAS Number:
24188-80-5
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
MDL Number:
MFCD09907915
IUPAC Name:
1-chloro-7-methylisoquinoline
InChI:
InChI=1S/C10H8ClN/c1-7-2-3-8-4-5-12-10(11)9(8)6-7/h2-6H,1H3
InChI Key:
FBQJSTRRHBTMMQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(Cl)ncc2
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  
Properties