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1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-3-carboxylic acid

1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-3-carboxylic acid - CAS 1006962-83-9

Catalog:	BB052335
Product Name:	1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-3-carboxylic acid
CAS:	1006962-83-9
Synonyms:	1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-3-carboxylicacid

Technical Data

Computed Properties

IUPAC Name:	1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxylic acid
Molecular Weight:	291.61
Molecular Formula:	C10H5ClF3N3O2
Canonical SMILES:	C1=CN(N=C1C(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl
InChI:	InChI=1S/C10H5ClF3N3O2/c11-6-3-5(10(12,13)14)4-15-8(6)17-2-1-7(16-17)9(18)19/h1-4H,(H,18,19)
InChI Key:	NIAOTXQZLTYQNN-UHFFFAOYSA-N

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Complexity:	355
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.0022386000001
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	291.0022386000001
Rotatable Bond Count:	2
Topological Polar Surface Area:	68
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5