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Home > Bromides > 2137831-45-7
2137831-45-7 | 8-bromo-6-chloroisoquinoline
CAS No: 2137831-45-7 Catalog No: AG01ELI4 MDL No:MFCD31421622
Product Description
Catalog Number:
AG01ELI4
Chemical Name:
8-bromo-6-chloroisoquinoline
CAS Number:
2137831-45-7
Molecular Formula:
C9H5BrClN
Molecular Weight:
242.4997
MDL Number:
MFCD31421622
IUPAC Name:
8-bromo-6-chloroisoquinoline
InChI:
InChI=1S/C9H5BrClN/c10-9-4-7(11)3-6-1-2-12-5-8(6)9/h1-5H
InChI Key:
HXNYEHRNBILNAR-UHFFFAOYSA-N
SMILES:
Clc1cc2ccncc2c(c1)Br
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:
3.4
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