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855839-41-7 | 3-Iodo-5-methoxyphenol
CAS No: 855839-41-7 Catalog No: AG004UEV MDL No:MFCD12405419
Product Description
Catalog Number:
AG004UEV
Chemical Name:
3-Iodo-5-methoxyphenol
CAS Number:
855839-41-7
Molecular Formula:
C7H7IO2
Molecular Weight:
250.0337
MDL Number:
MFCD12405419
IUPAC Name:
3-iodo-5-methoxyphenol
InChI:
InChI=1S/C7H7IO2/c1-10-7-3-5(8)2-6(9)4-7/h2-4,9H,1H3
InChI Key:
BQTFENWNALFGJM-UHFFFAOYSA-N
SMILES:
COc1cc(O)cc(c1)I
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.949g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.035g/mol
Monoisotopic Mass:
249.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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