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19099-48-0 | Benzene, 1,1'-methylenebis[4-(1,1-dimethylethyl)-
CAS No: 19099-48-0 Catalog No: AG002EYP MDL No:
Product Description
Catalog Number:
AG002EYP
Chemical Name:
Benzene, 1,1'-methylenebis[4-(1,1-dimethylethyl)-
CAS Number:
19099-48-0
Molecular Formula:
C21H28
Molecular Weight:
280.4470
IUPAC Name:
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene
InChI:
InChI=1S/C21H28/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6/h7-14H,15H2,1-6H3
InChI Key:
KRMBVBPNWUBFBC-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Cc1ccc(cc1)C(C)(C)C)(C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.219g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.455g/mol
Monoisotopic Mass:
280.219g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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