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131251-57-5 | Benzene, 2-iodo-1,3,5-trimethyl-4-(2-propyn-1-yl)-
CAS No: 131251-57-5 Catalog No: AG000VSS MDL No:
Product Description
Catalog Number:
AG000VSS
Chemical Name:
Benzene, 2-iodo-1,3,5-trimethyl-4-(2-propyn-1-yl)-
CAS Number:
131251-57-5
Molecular Formula:
C12H13I
Molecular Weight:
284.1361
IUPAC Name:
2-iodo-1,3,5-trimethyl-4-prop-2-ynylbenzene
InChI:
InChI=1S/C12H13I/c1-5-6-11-8(2)7-9(3)12(13)10(11)4/h1,7H,6H2,2-4H3
InChI Key:
YBZBWUCAGJOTKD-UHFFFAOYSA-N
SMILES:
C#CCc1c(C)cc(c(c1C)I)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.14g/mol
Monoisotopic Mass:
284.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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