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17936-74-2 | Benzenemethanol, 2-methyl-α-(trichloromethyl)-
CAS No: 17936-74-2 Catalog No: AG0026YN MDL No:
Product Description
Catalog Number:
AG0026YN
Chemical Name:
Benzenemethanol, 2-methyl-α-(trichloromethyl)-
CAS Number:
17936-74-2
Molecular Formula:
C9H9Cl3O
Molecular Weight:
239.5262
IUPAC Name:
2,2,2-trichloro-1-(2-methylphenyl)ethanol
InChI:
InChI=1S/C9H9Cl3O/c1-6-4-2-3-5-7(6)8(13)9(10,11)12/h2-5,8,13H,1H3
InChI Key:
VBUGXJUUBXHPIK-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(C(Cl)(Cl)Cl)O
NSC Number:
122943
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.52g/mol
Monoisotopic Mass:
237.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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