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570391-18-3,MFCD04115852
Catalog No.:AA003J6Q
570391-18-3 | 3-Chloro-5-hydroxybenzotrifluoride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$115.00   $80.00
- +
5g
95%
in stock  
$397.00   $278.00
- +
25g
95%
in stock  
$1,556.00   $1,089.00
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J6Q
Chemical Name:
3-Chloro-5-hydroxybenzotrifluoride
CAS Number:
570391-18-3
Molecular Formula:
C7H4ClF3O
Molecular Weight:
196.5543
MDL Number:
MFCD04115852
IUPAC Name:
3-chloro-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4ClF3O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
InChI Key:
BPJWMOPEHPOKFT-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)cc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.99g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.553g/mol
Monoisotopic Mass:
195.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
3-Chloro-5-hydroxybenzotrifluoride 
570391-18-3 
3-Chloro-5-trifluoromethyl-phenol 
3-(Trifluoromethyl)-5-chlorophenol 
5-chloro-3-(trifluoromethyl)phenol 
ACT13178 
BCP16504 
JRD-1327 
ZINC2527775 
3-chloro-5-(trifluoromethyl) phenol 
8367AB 
BBL101577 
3-chloro-5-(trifluoromethyl)phenol 
CL8485 
SBB092047 
STL555373 
AKOS005259688 
AM83073 
AS05474 
CC-2312 
CM11702 
Phenol, 3-chloro-5-(trifluoromethyl)- 
AC-26145 
3-Chloro-5-trifluoromethylphenol 
AJ-38146 
AK-35685 
DS-12730 
AB0087439 
RT-008671 
FT-0692118 
ST24042057 
A19916 
X-3255 
3-Chloro-5-(trifluoromethyl)phenol, AldrichCPR 
MFCD04115852 
I14-55290 
C7H4ClF3O 
CID3852718 
AC1MY8AS 
SCHEMBL6800526 
CTK7J8459 
DTXSID70397338 
BPJWMOPEHPOKFT-UHFFFAOYSA-N 
Literature
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