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869782-94-5 | 5-(Trifluoromethoxy)-1H-indazole-3-carboxylic acid
CAS No: 869782-94-5 Catalog No: AG004KTE MDL No:MFCD06739135
Product Description
Catalog Number:
AG004KTE
Chemical Name:
5-(Trifluoromethoxy)-1H-indazole-3-carboxylic acid
CAS Number:
869782-94-5
Molecular Formula:
C9H5F3N2O3
Molecular Weight:
246.1428
MDL Number:
MFCD06739135
IUPAC Name:
5-(trifluoromethoxy)-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C9H5F3N2O3/c10-9(11,12)17-4-1-2-6-5(3-4)7(8(15)16)14-13-6/h1-3H,(H,13,14)(H,15,16)
InChI Key:
DJKYXGHMEGLNLG-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1cc(cc2)OC(F)(F)F
EC Number:
617-942-9
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.145g/mol
Monoisotopic Mass:
246.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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