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2-(Hydroxymethyl)-4-iodo-6-methylphenol
CAS:
1787916-18-0
MW:
264.06
MF:
C8H9IO2
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2-(Hydroxymethyl)-4-iodo-6-methylphenol
1.2 Synonyms
AKOS025121911; BBL034053; H1951; MCULE-8495790722; STL387848; VS-12395; ZINC98063944;
1.3 CAS No.
1787916-18-0
1.4 CID
74655415
1.5 Molecular Formula
C8H9IO2
1.6 Inchi
InChI=1S/C8H9IO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-3,10-11H,4H2,1H3
1.7 InChkey
IMFIHCGQTOCUJL-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1=CC(=CC(=C1O)CO)I
1.9 Isomers Smiles
CC1=CC(=CC(=C1O)CO)I
2. Computed Properties
Molecular Weight:
264.06g/mol
Molecular Formula:
C
8
H
9
IO
2
Compound Is Canonicalized:
True
Exact Mass:
2.2
XLogP3-AA:
263.96473
Monoisotopic Mass:
263.96473
Complexity:
129
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
40.5
Heavy Atom Count::
11
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADccBwMAAAAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAgCAAADASimAIyBoAAAgCAAiBCAAACAAAgIAAAiAAECIgINyKCERKAcAAlwBEImAeAwGAOAAACAAAIAAAAAAQAABAAAAAAAAAAAA==
3. Toltal 1 Suppliers
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Update Time:
2022/01/01
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4. Realated Product Infomation
4-IODO-2-METHYLPHENOL
cas:60577-30-2
2-iodo-4-methylphenol
cas:16188-57-1
2-Iodo-3-Methylphenol
cas:1243471-41-1
5-iodo-2-MethylPhenol
cas:183803-06-7
2-(Hydroxymethyl)-3-methylphenol
cas:29922-52-9
3-(hydroxyMethyl)-4-Methylphenol
cas:1261454-85-6
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Computational chemical data
3.
Toltal 1 Suppliers
4.
Realated Product Infomation
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