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2137673-43-7 | 5,7-dibromoisoquinoline
CAS No: 2137673-43-7 Catalog No: AG01EINT MDL No:MFCD31457100
Product Description
Catalog Number:
AG01EINT
Chemical Name:
5,7-dibromoisoquinoline
CAS Number:
2137673-43-7
Molecular Formula:
C9H5Br2N
Molecular Weight:
286.9507
MDL Number:
MFCD31457100
IUPAC Name:
5,7-dibromoisoquinoline
InChI:
InChI=1S/C9H5Br2N/c10-7-3-6-5-12-2-1-8(6)9(11)4-7/h1-5H
InChI Key:
KCKOBTYLMIJXHR-UHFFFAOYSA-N
SMILES:
Brc1cc2cnccc2c(c1)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.877g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.954g/mol
Monoisotopic Mass:
284.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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