Home Halogens Isoquinoline, 5-bromo-1-chloro-6-methyl-

Isoquinoline, 5-bromo-1-chloro-6-methyl-

CAS No.:
1245647-25-9
Catalog Number:
AG000MC1
Molecular Formula:
C10H7BrClN
Molecular Weight:
256.5263
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Product Description
Catalog Number:
AG000MC1
Chemical Name:
Isoquinoline, 5-bromo-1-chloro-6-methyl-
CAS Number:
1245647-25-9
Molecular Formula:
C10H7BrClN
Molecular Weight:
256.5263
MDL Number:
MFCD09264576
IUPAC Name:
5-bromo-1-chloro-6-methylisoquinoline
InChI:
InChI=1S/C10H7BrClN/c1-6-2-3-8-7(9(6)11)4-5-13-10(8)12/h2-5H,1H3
InChI Key:
FUUICJNIZASIEL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1Br)ccnc2Cl
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:
4.1  
Properties