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696-62-8 | 4-Iodoanisole
CAS No: 696-62-8 Catalog No: AG003LKJ MDL No:MFCD00001056
Product Description
Catalog Number:
AG003LKJ
Chemical Name:
4-Iodoanisole
CAS Number:
696-62-8
Molecular Formula:
C7H7IO
Molecular Weight:
234.0344
MDL Number:
MFCD00001056
IUPAC Name:
1-iodo-4-methoxybenzene
InChI:
InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:
SYSZENVIJHPFNL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)I
EC Number:
211-798-7
NSC Number:
60727
Properties
Complexity:
77
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:
0
Isotope Atom Count:
0
Molecular Weight:
234.036g/mol
Monoisotopic Mass:
233.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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