[1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl]methanol - CAS 1341536-55-7

Catalog:	BB050954
Product Name:	[1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl]methanol
CAS:	1341536-55-7
Synonyms:	1H-Pyrazole-4-methanol, 1-(2,2-difluoroethyl)-

Technical Data

Computed Properties

IUPAC Name:	[1-(2,2-difluoroethyl)pyrazol-4-yl]methanol
Molecular Weight:	162.14
Molecular Formula:	C6H8F2N2O
Canonical SMILES:	C1=C(C=NN1CC(F)F)CO
InChI:	InChI=1S/C6H8F2N2O/c7-6(8)3-10-2-5(4-11)1-9-10/h1-2,6,11H,3-4H2
InChI Key:	CTKUROHRHOWYEP-UHFFFAOYSA-N
Boiling Point:	266.2±40.0°C (Predicted)
Purity:	≥95%
Density:	1.36±0.1 g/cm3 (Predicted)

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Pyrazoles

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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
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Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.06046921
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.06046921
Rotatable Bond Count:	3
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1