Home Other Building Blocks 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]acetic acid

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]acetic acid

CAS No.:
1343894-50-7
Catalog Number:
AG01A3IS
Molecular Formula:
C9H11F3N2O2
Molecular Weight:
236.1910
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Product Description
Catalog Number:
AG01A3IS
Chemical Name:
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]acetic acid
CAS Number:
1343894-50-7
Molecular Formula:
C9H11F3N2O2
Molecular Weight:
236.1910
MDL Number:
MFCD19611407
IUPAC Name:
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetic acid
InChI:
InChI=1S/C9H11F3N2O2/c1-5-7(3-8(15)16)6(2)14(13-5)4-9(10,11)12/h3-4H2,1-2H3,(H,15,16)
InChI Key:
UCFGWZYLWDZPDR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nn(c1C)CC(F)(F)F
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.194g/mol
Monoisotopic Mass:
236.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties