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1459-01-4 | Benzene, (2-iodo-1-methylethyl)-
CAS No: 1459-01-4 Catalog No: AG007YLK MDL No:
Product Description
Catalog Number:
AG007YLK
Chemical Name:
Benzene, (2-iodo-1-methylethyl)-
CAS Number:
1459-01-4
Molecular Formula:
C9H11I
Molecular Weight:
246.0881
IUPAC Name:
1-iodopropan-2-ylbenzene
InChI:
InChI=1S/C9H11I/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
HIDYPDZZGNFUSP-UHFFFAOYSA-N
SMILES:
ICC(c1ccccc1)C
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.091g/mol
Monoisotopic Mass:
245.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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