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13421-96-0 | 3,4',5-Trichlorobenzhydrol
CAS No: 13421-96-0 Catalog No: AG01FFGB MDL No:
Product Description
Catalog Number:
AG01FFGB
Chemical Name:
3,4',5-Trichlorobenzhydrol
CAS Number:
13421-96-0
Molecular Formula:
C13H9Cl3O
Molecular Weight:
287.5690
IUPAC Name:
(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
InChI:
InChI=1S/C13H9Cl3O/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H
InChI Key:
FLHVCULFAXPOGI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1cc(Cl)cc(c1)Cl)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.564g/mol
Monoisotopic Mass:
285.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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