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1004643-64-4,MFCD04970128
Catalog No.:AA0001Z6
1004643-64-4 | 1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
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Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$279.00   $195.00
- +
5g
96%
in stock  
$1,239.00   $867.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0001Z6
Chemical Name:
1-(Difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1004643-64-4
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD04970128
IUPAC Name:
1-(difluoromethyl)-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H6F2N2O2/c1-3-2-4(5(11)12)9-10(3)6(7)8/h2,6H,1H3,(H,11,12)
InChI Key:
TUXYFJUEAARJQQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)C)C(F)F
Properties
Computed Properties
 
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.123g/mol
Monoisotopic Mass:
176.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1-(difluoromethyl)-5-methyl-1H-pyrazole-3-carboxylic acid 
1004643-64-4 
CS-W020728 
MCULE-6102364922 
CS-13270 
ST45091317 
EN300-83728 
K-0174 
1-DIFLUOROMETHYL-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID 
1H-Pyrazole-3-carboxylic acid, 1-(difluoromethyl)-5-methyl- 
CID7017759 
1-DIFLUOROMETHYL-5-METHYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID 
1-(difluoromethyl)-5-methyl-pyrazole-3-carboxylic Acid 
1-(difluoromethyl)-5-methylpyrazole-3-carboxylic acid 
CTK7J1023 
ZINC2537901 
MFCD04970128 
SBB022342 
STK312278 
AKOS000310593 
Literature
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