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1018678-39-1,MFCD22546902
Catalog No.:AA0005PC
1018678-39-1 | 4-Chloro-2-(trifluoromethyl)nicotinic acid
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1g
95%
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$600.00   $420.00
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Technical Information
Catalog Number:
AA0005PC
Chemical Name:
4-Chloro-2-(trifluoromethyl)nicotinic acid
CAS Number:
1018678-39-1
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD22546902
IUPAC Name:
4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-3-1-2-12-5(7(9,10)11)4(3)6(13)14/h1-2H,(H,13,14)
InChI Key:
LORVMHLMFSWALD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ccnc1C(F)(F)F
Properties
Computed Properties
 
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
4-Chloro-2-(trifluoromethyl)nicotinic acid 
1018678-39-1 
PC49634 
4-Chloro-2-trifluoromethylnicotinic acid 
AK137148 
AS-50173 
DA-48348 
AJ-126190 
AX8258716 
CS-0030196 
FT-0736555 
3-Pyridinecarboxylic acid, 4-chloro-2-(trifluoromethyl)- 
4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid 
SCHEMBL1178825 
DTXSID70732366 
LORVMHLMFSWALD-UHFFFAOYSA-N 
MFCD22546902 
ZINC84235410 
AB82774 
FCH2292803 
Literature
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