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688753-87-9 | Phenol, 2-(iodomethyl)-
CAS No: 688753-87-9 Catalog No: AG006112 MDL No:
Product Description
Catalog Number:
AG006112
Chemical Name:
Phenol, 2-(iodomethyl)-
CAS Number:
688753-87-9
Molecular Formula:
C7H7IO
Molecular Weight:
234.0344
IUPAC Name:
2-(iodomethyl)phenol
InChI:
InChI=1S/C7H7IO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5H2
InChI Key:
LJDPWFALMSMBLY-UHFFFAOYSA-N
SMILES:
ICc1ccccc1O
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.954g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.036g/mol
Monoisotopic Mass:
233.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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