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1367850-96-1 | 1H-Imidazole-4-acetic acid, 5-(trifluoromethyl)-
CAS No: 1367850-96-1 Catalog No: AG0012CH MDL No:MFCD23703037
Product Description
Catalog Number:
AG0012CH
Chemical Name:
1H-Imidazole-4-acetic acid, 5-(trifluoromethyl)-
CAS Number:
1367850-96-1
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD23703037
IUPAC Name:
2-[4-(trifluoromethyl)-1H-imidazol-5-yl]acetic acid
InChI:
InChI=1S/C6H5F3N2O2/c7-6(8,9)5-3(1-4(12)13)10-2-11-5/h2H,1H2,(H,10,11)(H,12,13)
InChI Key:
RVWWTRPGLFFKCR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nc[nH]c1C(F)(F)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.113g/mol
Monoisotopic Mass:
194.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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