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827573-99-9 | Benzene, (4-iodo-3,3-dimethyl-1-butenyl)-
CAS No: 827573-99-9 Catalog No: AG008IVX MDL No:
Product Description
Catalog Number:
AG008IVX
Chemical Name:
Benzene, (4-iodo-3,3-dimethyl-1-butenyl)-
CAS Number:
827573-99-9
Molecular Formula:
C12H15I
Molecular Weight:
286.1520
IUPAC Name:
(4-iodo-3,3-dimethylbut-1-enyl)benzene
InChI:
InChI=1S/C12H15I/c1-12(2,10-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key:
WAJFKAUANUIYES-UHFFFAOYSA-N
SMILES:
ICC(C=Cc1ccccc1)(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.156g/mol
Monoisotopic Mass:
286.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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