Home Halogens 8-bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline

8-bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline

CAS No.:
1445891-27-9
Catalog Number:
AG01BK9Y
Molecular Formula:
C9H9BrClN
Molecular Weight:
246.5315
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Product Description
Catalog Number:
AG01BK9Y
Chemical Name:
8-bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1445891-27-9
Molecular Formula:
C9H9BrClN
Molecular Weight:
246.5315
MDL Number:
MFCD21706123
IUPAC Name:
8-bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C9H9BrClN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-2,12H,3-5H2
InChI Key:
FKUPERICYLCFLB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1CCNC2)Br
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.961g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.532g/mol
Monoisotopic Mass:
244.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties