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131797-35-8,MFCD07375186
Catalog No.:AA0001K3
131797-35-8 | 1H-Pyrazole, 3-chloro-5-(trifluoromethyl)-
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100mg
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001K3
Chemical Name:
1H-Pyrazole, 3-chloro-5-(trifluoromethyl)-
CAS Number:
131797-35-8
Molecular Formula:
C4H2ClF3N2
Molecular Weight:
170.5203
MDL Number:
MFCD07375186
IUPAC Name:
3-chloro-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C4H2ClF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10)
InChI Key:
MOIFODGGQARBFF-UHFFFAOYSA-N
SMILES:
FC(c1[nH]nc(c1)Cl)(F)F
Properties
Computed Properties
 
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.986g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.519g/mol
Monoisotopic Mass:
169.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
5-chloro-3-(trifluoromethyl)-1H-pyrazole 
1003320-19-1 
MOIFODGGQARBFF-UHFFFAOYSA-N 
5-chloro-3-trifluoromethylpyrazole 
3724AD 
ANW-50090 
MFCD07375186 
SBB054442 
ZINC40448060 
5-chloro-3-(trifluoromethyl)pyrazole 
AKOS015850264 
AB41391 
5-CHLORO-3-TRIFLUOROMETHYL-1H-PYRAZOLE 
ACN-048641 
DS-0538 
MP-1556 
AK-29699 
CJ-20099 
DA-18930 
DA-18934 
EN001122 
TS-01464 
1H-Pyrazole,5-chloro-3-(trifluoromethyl)- 
131797-35-8 
AB0034351 
AJ-102562 
ST2418730 
TR-033757 
4CH-012626 
FT-0647978 
FT-0747965 
X8492 
1H-Pyrazole, 3-chloro-5-(trifluoromethyl)- 
J-500557 
3-chloro-5-(trifluoromethyl)-1H-pyrazole 
(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone hydrochloride 
C4H2ClF3N2 
SCHEMBL2578654 
CTK3J8800 
KS-00000JWL 
DTXSID50629962 
Literature
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