Home Halogens 4-Bromo-7-chloroisoquinolin-1(2H)-one

4-Bromo-7-chloroisoquinolin-1(2H)-one

CAS No.:
1028252-13-2
Catalog Number:
AG007J5W
Molecular Formula:
C9H5BrClNO
Molecular Weight:
258.4991
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$150
- +
Product Description
Catalog Number:
AG007J5W
Chemical Name:
4-Bromo-7-chloroisoquinolin-1(2H)-one
CAS Number:
1028252-13-2
Molecular Formula:
C9H5BrClNO
Molecular Weight:
258.4991
MDL Number:
MFCD13193317
IUPAC Name:
4-bromo-7-chloro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H5BrClNO/c10-8-4-12-9(13)7-3-5(11)1-2-6(7)8/h1-4H,(H,12,13)
InChI Key:
DNIKNSRKTYSIMS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)[nH]cc2Br
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.924g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.499g/mol
Monoisotopic Mass:
256.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties