Home Halogens 8-bromo-1-chloro-3-methylisoquinoline

8-bromo-1-chloro-3-methylisoquinoline

CAS No.:
1603505-51-6
Catalog Number:
AG01BJ5Y
Molecular Formula:
C10H7BrClN
Molecular Weight:
256.5263
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Product Description
Catalog Number:
AG01BJ5Y
Chemical Name:
8-bromo-1-chloro-3-methylisoquinoline
CAS Number:
1603505-51-6
Molecular Formula:
C10H7BrClN
Molecular Weight:
256.5263
MDL Number:
MFCD30751994
IUPAC Name:
8-bromo-1-chloro-3-methylisoquinoline
InChI:
InChI=1S/C10H7BrClN/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-5H,1H3
InChI Key:
MDVGMFRPDQSUCP-UHFFFAOYSA-N
SMILES:
Cc1cc2cccc(c2c(n1)Cl)Br
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.945g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.527g/mol
Monoisotopic Mass:
254.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties