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873651-77-5

873651-77-5 | 1,1'-Biphenyl, 4,4'-dibromo-2,5-dihexyl-2'-nitro-

CAS No: 873651-77-5 Catalog No: AG004KOW MDL No:

Product Description

Catalog Number:
AG004KOW
Chemical Name:
1,1'-Biphenyl, 4,4'-dibromo-2,5-dihexyl-2'-nitro-
CAS Number:
873651-77-5
Molecular Formula:
C24H31Br2NO2
Molecular Weight:
525.3164
IUPAC Name:
1-bromo-4-(4-bromo-2-nitrophenyl)-2,5-dihexylbenzene
InChI:
InChI=1S/C24H31Br2NO2/c1-3-5-7-9-11-18-16-23(26)19(12-10-8-6-4-2)15-22(18)21-14-13-20(25)17-24(21)27(28)29/h13-17H,3-12H2,1-2H3
InChI Key:
DHALLKDPHCFOBY-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(c(cc1Br)CCCCCC)c1ccc(cc1[N+](=O)[O-])Br

Properties

Complexity:
470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.07g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
525.325g/mol
Monoisotopic Mass:
523.072g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7  

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