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220728-62-1 | 4-IODO-2-METHOXYTOLUENE
CAS No: 220728-62-1 Catalog No: AG00BGAB MDL No:MFCD06797971
Product Description
Catalog Number:
AG00BGAB
Chemical Name:
4-IODO-2-METHOXYTOLUENE
CAS Number:
220728-62-1
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
MDL Number:
MFCD06797971
IUPAC Name:
4-iodo-2-methoxy-1-methylbenzene
InChI:
InChI=1S/C8H9IO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3
InChI Key:
JVKISKVALBFNFA-UHFFFAOYSA-N
SMILES:
COc1cc(I)ccc1C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/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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