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79725-05-6 | 1,1'-Biphenyl,bis(1-methylpropyl)- (9CI)
CAS No: 79725-05-6 Catalog No: AG005HEO MDL No:
Product Description
Catalog Number:
AG005HEO
Chemical Name:
1,1'-Biphenyl,bis(1-methylpropyl)- (9CI)
CAS Number:
79725-05-6
Molecular Formula:
C20H26
Molecular Weight:
266.4204
IUPAC Name:
1,2-di(butan-2-yl)-3-phenylbenzene
InChI:
InChI=1S/C20H26/c1-5-15(3)18-13-10-14-19(20(18)16(4)6-2)17-11-8-7-9-12-17/h7-16H,5-6H2,1-4H3
InChI Key:
KIXIEZIQDXHGDL-UHFFFAOYSA-N
SMILES:
CCC(c1c(cccc1C(CC)C)c1ccccc1)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.203g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.428g/mol
Monoisotopic Mass:
266.203g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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