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117330-51-5 | 3,3'-Biisoquinoline, 1,1'-bis(bromomethyl)-
CAS No: 117330-51-5 Catalog No: AG000E52 MDL No:
Product Description
Catalog Number:
AG000E52
Chemical Name:
3,3'-Biisoquinoline, 1,1'-bis(bromomethyl)-
CAS Number:
117330-51-5
Molecular Formula:
C20H14Br2N2
Molecular Weight:
442.1466
IUPAC Name:
1-(bromomethyl)-3-[1-(bromomethyl)isoquinolin-3-yl]isoquinoline
InChI:
InChI=1S/C20H14Br2N2/c21-11-19-15-7-3-1-5-13(15)9-17(23-19)18-10-14-6-2-4-8-16(14)20(12-22)24-18/h1-10H,11-12H2
InChI Key:
MTTPJFQIRJNLHN-UHFFFAOYSA-N
SMILES:
BrCc1nc(cc2c1cccc2)c1cc2ccccc2c(n1)CBr
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.95g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.154g/mol
Monoisotopic Mass:
439.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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