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73037-81-7,MFCD12755840
Catalog No.:AA01C5RD
73037-81-7 | 6-Chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline
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Technical Information
Catalog Number:
AA01C5RD
Chemical Name:
6-Chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
73037-81-7
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
MDL Number:
MFCD12755840
IUPAC Name:
6-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H12ClN/c1-7-5-12-6-8-2-3-9(11)4-10(7)8/h2-4,7,12H,5-6H2,1H3
InChI Key:
JOJQDQBZQKZVNI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(C)CNC2
Properties
Computed Properties
 
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.066g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.663g/mol
Monoisotopic Mass:
181.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
6-CHLORO-4-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE 
73037-81-7 
SCHEMBL14993946 
AKOS022640985 
AB65681 
F9994-0321 
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