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Home > Bromides > 1307316-83-1
1307316-83-1 | Isoquinoline, 7-bromo-6-chloro-
CAS No: 1307316-83-1 Catalog No: AG000UVV MDL No:MFCD20486970
Product Description
Catalog Number:
AG000UVV
Chemical Name:
Isoquinoline, 7-bromo-6-chloro-
CAS Number:
1307316-83-1
Molecular Formula:
C9H5BrClN
Molecular Weight:
242.4997
MDL Number:
MFCD20486970
IUPAC Name:
7-bromo-6-chloroisoquinoline
InChI:
InChI=1S/C9H5BrClN/c10-8-3-7-5-12-2-1-6(7)4-9(8)11/h1-5H
InChI Key:
KZOSCZXUHGBLMP-UHFFFAOYSA-N
SMILES:
Brc1cc2cnccc2cc1Cl
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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