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Home > Bromides > 1036712-54-5
1036712-54-5 | 6-bromo-7-chloroisoquinoline
CAS No: 1036712-54-5 Catalog No: AG01EL75 MDL No:MFCD11846298
Product Description
Catalog Number:
AG01EL75
Chemical Name:
6-bromo-7-chloroisoquinoline
CAS Number:
1036712-54-5
Molecular Formula:
C9H5BrClN
Molecular Weight:
242.4997
MDL Number:
MFCD11846298
IUPAC Name:
6-bromo-7-chloroisoquinoline
InChI:
InChI=1S/C9H5BrClN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h1-5H
InChI Key:
MDVYTGOMIMUNHS-UHFFFAOYSA-N
SMILES:
Brc1cc2ccncc2cc1Cl
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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