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189337-26-6 | Benzene, 1,3-bis[bromo[4-(1,1-dimethylethyl)phenyl]methyl]-
CAS No: 189337-26-6 Catalog No: AG002IC4 MDL No:
Product Description
Catalog Number:
AG002IC4
Chemical Name:
Benzene, 1,3-bis[bromo[4-(1,1-dimethylethyl)phenyl]methyl]-
CAS Number:
189337-26-6
Molecular Formula:
C28H32Br2
Molecular Weight:
528.3617
IUPAC Name:
1,3-bis[bromo-(4-tert-butylphenyl)methyl]benzene
InChI:
InChI=1S/C28H32Br2/c1-27(2,3)23-14-10-19(11-15-23)25(29)21-8-7-9-22(18-21)26(30)20-12-16-24(17-13-20)28(4,5)6/h7-18,25-26H,1-6H3
InChI Key:
ZYTIDIFBRKMWSO-UHFFFAOYSA-N
SMILES:
BrC(c1ccc(cc1)C(C)(C)C)c1cccc(c1)C(c1ccc(cc1)C(C)(C)C)Br
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.085g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.372g/mol
Monoisotopic Mass:
526.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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