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918309-99-6

918309-99-6 | 2,2'-Bipyridine, 6,6'-bis(bromomethyl)-4,4'-bis[2-(4-nitrophenyl)ethynyl]-

CAS No: 918309-99-6 Catalog No: AG006GG5 MDL No:

Product Description

Catalog Number:
AG006GG5
Chemical Name:
2,2'-Bipyridine, 6,6'-bis(bromomethyl)-4,4'-bis[2-(4-nitrophenyl)ethynyl]-
CAS Number:
918309-99-6
Molecular Formula:
C28H16Br2N4O4
Molecular Weight:
632.2590
IUPAC Name:
2-(bromomethyl)-6-[6-(bromomethyl)-4-[2-(4-nitrophenyl)ethynyl]pyridin-2-yl]-4-[2-(4-nitrophenyl)ethynyl]pyridine
InChI:
InChI=1S/C28H16Br2N4O4/c29-17-23-13-21(3-1-19-5-9-25(10-6-19)33(35)36)15-27(31-23)28-16-22(14-24(18-30)32-28)4-2-20-7-11-26(12-8-20)34(37)38/h5-16H,17-18H2
InChI Key:
DDDUBHLSMINAQZ-UHFFFAOYSA-N
SMILES:
BrCc1cc(C#Cc2ccc(cc2)[N+](=O)[O-])cc(n1)c1nc(CBr)cc(c1)C#Cc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
879  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
631.952g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
632.268g/mol
Monoisotopic Mass:
629.954g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  

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