Home Fluorides 4864-01-1
4864-01-1,MFCD01862091
Catalog No.:AA003HGD
4864-01-1 | 2-Methoxy-5-(trifluoromethyl);benzoic acid
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1g
97%
in stock  
$30.00
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5g
95%
in stock  
$89.00
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10g
95%
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$158.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HGD
Chemical Name:
2-Methoxy-5-(trifluoromethyl);benzoic acid
CAS Number:
4864-01-1
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD01862091
IUPAC Name:
2-methoxy-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H7F3O3/c1-15-7-3-2-5(9(10,11)12)4-6(7)8(13)14/h2-4H,1H3,(H,13,14)
InChI Key:
NAKZCKOHULJEID-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)C(F)(F)F
Properties
Computed Properties
 
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
2-Methoxy-5-(trifluoromethyl)benzoic acid 
4864-01-1 
DTXSID10544405 
NAKZCKOHULJEID-UHFFFAOYSA-N 
ACT00619 
JRD-1944 
ANW-46570 
BBL100556 
CL8891 
SBB095897 
STL554350 
ZINC12956694 
2-METHOXY-5-TRIFLUOROMETHYLBENZOIC ACID 
AKOS005254623 
AC-4475 
AM61573 
RP05144 
AJ-63243 
AK-86782 
AN-11958 
DS-18234 
EN002131 
SC-99456 
Benzoic acid, 2-methoxy-5-(trifluoromethyl)- 
DB-057842 
ST2404462 
TC-135315 
Benzoic acid,2-methoxy-5-(trifluoromethyl)- 
CS-0042046 
W6485 
2-(methyloxy)-5-(trifluoromethyl)benzoic acid 
Q-8184 
2-METHOXY-5-(TRIFLUOROMETHYL)BENZOICACID 
864M011 
MFCD01862091 
I01-8319 
J-509823 
W-204286 
Cetyl chloride 
2-Methoxy-5- benzoicacid 
C9H7F3O3 
MFCD00000959 
PubChem10415 
ACMC-209wn0 
SCHEMBL345774 
CTK4J0918 
KS-00000PRU 
Literature
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