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1221232-29-6 | Isoquinoline, 6-bromo-4-chloro-
CAS No: 1221232-29-6 Catalog No: AG0016SJ MDL No:
Product Description
Catalog Number:
AG0016SJ
Chemical Name:
Isoquinoline, 6-bromo-4-chloro-
CAS Number:
1221232-29-6
Molecular Formula:
C9H5BrClN
Molecular Weight:
242.4997
IUPAC Name:
6-bromo-4-chloroisoquinoline
InChI:
InChI=1S/C9H5BrClN/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-5H
InChI Key:
CDMLLPMNUHXCDB-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(Cl)cnc2
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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