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114686-67-8 | Benzene, 1-(2-iodoethyl)-3-methyl-
CAS No: 114686-67-8 Catalog No: AG000F1Q MDL No:
Product Description
Catalog Number:
AG000F1Q
Chemical Name:
Benzene, 1-(2-iodoethyl)-3-methyl-
CAS Number:
114686-67-8
Molecular Formula:
C9H11I
Molecular Weight:
246.0881
IUPAC Name:
1-(2-iodoethyl)-3-methylbenzene
InChI:
InChI=1S/C9H11I/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6H2,1H3
InChI Key:
XMVAPTOWZNYJEY-UHFFFAOYSA-N
SMILES:
ICCc1cccc(c1)C
Properties
Complexity:
90.7
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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