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89700-88-9 | Benzene, 1,3-bis(1-chloro-1-methylethyl)-5-(1,1-dimethylethyl)-
CAS No: 89700-88-9 Catalog No: AG0042PS MDL No:
Product Description
Catalog Number:
AG0042PS
Chemical Name:
Benzene, 1,3-bis(1-chloro-1-methylethyl)-5-(1,1-dimethylethyl)-
CAS Number:
89700-88-9
Molecular Formula:
C16H24Cl2
Molecular Weight:
287.2678
IUPAC Name:
1-tert-butyl-3,5-bis(2-chloropropan-2-yl)benzene
InChI:
InChI=1S/C16H24Cl2/c1-14(2,3)11-8-12(15(4,5)17)10-13(9-11)16(6,7)18/h8-10H,1-7H3
InChI Key:
YPHWIAIHNIRRHU-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1)C(Cl)(C)C)C(Cl)(C)C)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.268g/mol
Monoisotopic Mass:
286.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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