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163885-96-9 | 2,2':6',2''-Terpyridine, 6,6''-bis(bromomethyl)-
CAS No: 163885-96-9 Catalog No: AG001UIQ MDL No:
Product Description
Catalog Number:
AG001UIQ
Chemical Name:
2,2':6',2''-Terpyridine, 6,6''-bis(bromomethyl)-
CAS Number:
163885-96-9
Molecular Formula:
C17H13Br2N3
Molecular Weight:
419.1132
IUPAC Name:
2,6-bis[6-(bromomethyl)pyridin-2-yl]pyridine
InChI:
InChI=1S/C17H13Br2N3/c18-10-12-4-1-6-14(20-12)16-8-3-9-17(22-16)15-7-2-5-13(11-19)21-15/h1-9H,10-11H2
InChI Key:
ZHOAAPOLLDIZCA-UHFFFAOYSA-N
SMILES:
BrCc1cccc(n1)c1cccc(n1)c1cccc(n1)CBr
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.946g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.12g/mol
Monoisotopic Mass:
416.948g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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