Home Bromides 1233025-78-9
1233025-78-9,MFCD13193666
Catalog No.:AA000K82
1233025-78-9 | Isoquinoline, 8-bromo-1-chloro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
1 week  
$77.00
- +
250mg
97%
1 week  
$145.00
- +
1g
97%
1 week  
$300.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000K82
Chemical Name:
Isoquinoline, 8-bromo-1-chloro-
CAS Number:
1233025-78-9
Molecular Formula:
C9H5BrClN
Molecular Weight:
242.4997
MDL Number:
MFCD13193666
IUPAC Name:
8-bromo-1-chloroisoquinoline
InChI:
InChI=1S/C9H5BrClN/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H
InChI Key:
RWBOOZDHIKMEHN-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1c(Cl)ncc2
Properties
Computed Properties
 
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.929g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.5g/mol
Monoisotopic Mass:
240.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Synonyms
 
8-BROMO-1-CHLOROISOQUINOLINE 
1233025-78-9 
4452AA 
ANW-61741 
ZINC63772310 
AKOS016002865 
CS-W003859 
QC-8229 
RP28540 
AK-31790 
DA-19485 
DS-11528 
1-Chloro-8-bromoisoquinoline 
SY019970 
AB0073946 
AJ-114451 
TC-150486 
FT-0697454 
ST24045755 
MFCD13193666 (95%) 
J-519378 
C9H5BrClN 
ACN-S004827 
MFCD13193666 
SCHEMBL10030932 
CTK8B8986 
KS-00000HTA 
DTXSID20680686 
Isoquinoline, 8-bromo-1-chloro- 
ACT10201 
Literature
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