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175278-38-3 | Benzene, 4-butyl-1-iodo-2-methyl-
CAS No: 175278-38-3 Catalog No: AG0020U7 MDL No:MFCD00277210
Product Description
Catalog Number:
AG0020U7
Chemical Name:
Benzene, 4-butyl-1-iodo-2-methyl-
CAS Number:
175278-38-3
Molecular Formula:
C11H15I
Molecular Weight:
274.1413
MDL Number:
MFCD00277210
IUPAC Name:
4-butyl-1-iodo-2-methylbenzene
InChI:
InChI=1S/C11H15I/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8H,3-5H2,1-2H3
InChI Key:
FQXNRBVROUKCMV-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)C)I
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.145g/mol
Monoisotopic Mass:
274.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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