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1233025-78-9 | Isoquinoline, 8-bromo-1-chloro-
CAS No: 1233025-78-9 Catalog No: AG000KAU MDL No:MFCD13193666
Product Description
Catalog Number:
AG000KAU
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
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
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