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2557-13-3,MFCD00043543
Catalog No.:AA003I7Y
2557-13-3 | Methyl 3-(trifluoromethyl)benzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$15.00   $10.00
- +
25g
98%
in stock  
$22.00   $15.00
- +
100g
98%
in stock  
$72.00   $50.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003I7Y
Chemical Name:
Methyl 3-(trifluoromethyl)benzoate
CAS Number:
2557-13-3
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD00043543
IUPAC Name:
methyl 3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3
InChI Key:
QQHNNQCWKYFNAC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
Methyl 3-(trifluoromethyl)benzoate 
2557-13-3 
MFCD00043543 
methyl m-trifluoromethylbenzoate 
QQHNNQCWKYFNAC-UHFFFAOYSA-N 
3-(Methoxycarbonyl)benzotrifluoride 
Benzoic acid, 3-(trifluoromethyl)-, methyl ester 
Methyl alpha,alpha,alpha-Trifluoro-m-toluate 
AC1LATXK 
rarechem al bf 0072 
timtec-bb sbb007893 
ACMC-1COE7 
Methyl 3-trifluoromethylbenzoate 
m-carbomethoxybenzotrifluoride 
SCHEMBL40351 
KSC203O4T 
4-CF3-C6H4-COOCH3 
methyl3-(trifluoromethyl)benzene 
CTK1A3749 
KS-00000BKH 
methyl 3-trifluoromethyl benzoate 
methyl-3(trifluoromethyl)benzoate 
QQHNNQCWKYFNAC-UHFFFAOYSA- 
3-(Trifluoromethyl)benzoic Acid Methyl Ester 
DTXSID10334282 
Methyl 3 - trifluoromethylbenzoate 
methyl-3-(trifluoromethyl)benzoate 
ZINC167073 
methyl 3-(trifluoromethyl) benzoate 
ANW-25761 
SBB007893 
AKOS008908786 
AS04748 
FR-0535 
3-carbomethoxybenzotrifluoride 
LF10876 
PS-8143 
RP26072 
RTC-062427 
SDCCGMLS-0066267.P001 
VZ32616 
TRA-0184059 
3-(Trifluoromethyl)benzoicacidmethyl ester 
3-trifluoromethylbenzoic acid methyl ester 
AC-23558 
methyl3-(trifluoromethyl)benzoate 
AJ-16583 
AK-47511 
BR-47511 
CJ-02352 
Methyl 3-(trifluoromethyl)benzoate, 99% 
U765 
ZB008729 
3-(trifluoromethyl)benzoic acidmethyl ester 
3-trifluoromethyl-benzoic acid methyl ester 
AB0019451 
methyl m-(trifluoromethyl)benzoate 
ST2413329 
TC-062427 
TL8002074 
A5145 
AM20050260 
FT-0613931 
FT-0658464 
M1718 
ST50306975 
M-5551 
3-trifluoromethyl-benzoic aic methyl ester 
557M133 
I01-3522 
I14-5791 
J-016050 
J-522103 
3-(Methoxycarbonyl)-alpha,alpha,alpha-trifluorotoluene 
InChI=1/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3 
C9H7F3O2 
Methyl, 3-trifluoromethylbenzoate 
CID520213 
MTF-BOM 
EC 457-830-5 
Methyl 3-(trifluoromethyl)benzoate, 99% - 25ML 25ml 
3-(Trifluoromethyl) benzoic acid methyl ester 
Literature
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