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1000339-94-5,MFCD04972754
Catalog No.:AA0000AK
1000339-94-5 | Phenol, 3-chloro-4-(trifluoromethoxy)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$15.00
- +
5g
97%
in stock  
$55.00
- +
10g
97%
in stock  
$80.00
- +
25g
97%
in stock  
$167.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000AK
Chemical Name:
Phenol, 3-chloro-4-(trifluoromethoxy)-
CAS Number:
1000339-94-5
Molecular Formula:
C7H4ClF3O2
Molecular Weight:
212.5537
MDL Number:
MFCD04972754
IUPAC Name:
3-chloro-4-(trifluoromethoxy)phenol
InChI:
InChI=1S/C7H4ClF3O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H
InChI Key:
ZDKAPCMMTRJKTR-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.552g/mol
Monoisotopic Mass:
211.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
3-Chloro-4-(trifluoromethoxy)phenol 
1000339-94-5 
ZDKAPCMMTRJKTR-UHFFFAOYSA-N 
AM667 
ABBYPHARMA AP-15-5266 
KS-00000L0M 
ZINC2540210 
ZX-AP012056 
ANW-51453 
CL8482 
MFCD04972754 
PC8774 
3-chloro-4-trifluoromethoxyphenol 
SBB094692 
AKOS015848891 
AS00178 
AS00235 
ASINEX-REAG ASN 13794917 
CM11699 
FCH1373162 
GS-4385 
RP26701 
VZ26658 
Phenol, 3-chloro-4-(trifluoromethoxy)- 
AJ-39028 
BC247411 
BR-36169 
SC-49697 
AB0034012 
AX8040952 
DB-015997 
ST2417639 
TR-033740 
4CH-013933 
AK-36169 
FT-0756499 
X8094 
2-Chloro-4-hydroxyphenyl trifluoromethyl ether 
A19505 
S-2496 
J-512215 
2-Chloro-4-hydroxy-alpha,alpha,alpha-trifluoroanisole 
C7H4ClF3O2 
2-Chloro-3-amino-4-picoline 
3-Amino-2-chloro-4-picoline 
C7H4O2F3CL 
TIMTEC-BB SBB010194 
2-chloro-4-methyl-3-pyridinamine 
2-chloro-4-methylpyridin-3-amine 
2-Chloro-3-amino-4-methylpyridine 
3-Amino-2-chloro-4-methylpyridine 
2-Chloro-4-methyl-pyridin-3-ylamine 
133627-45-9 
109-12-6 
SCHEMBL365685 
PARAGOS 590030 
CTK3J8415 
DTXSID60654245 
Literature
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