Sodium (Z)-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate - CAS 1332317-69-7

Name: Sodium (Z)-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB049064
Product Name:	Sodium (Z)-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate
CAS:	1332317-69-7
Synonyms:	[(Z)-1-(Difluoromethyl)-3-(1-ethyl-3-methyl-pyrazol-4-yl)-3-oxo-prop-1-enoxy] sodium; Sodium (2Z)-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxo-2-buten-2-olate; 2-Buten-1-one, 1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4,4-difluoro-3-hydroxy-, sodium salt, (2Z)- (1:1)

Technical Data

IUPAC Name:	sodium;(Z)-4-(1-ethyl-3-methylpyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate
Description:	Sodium (Z)-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate (CAS# 1332317-69-7 ) is a useful research chemical.
Molecular Weight:	252.19
Molecular Formula:	C10H11F2N2NaO2
Canonical SMILES:	CCN1C=C(C(=N1)C)C(=O)C=C(C(F)F)[O-].[Na+]
InChI:	InChI=1S/C10H12F2N2O2.Na/c1-3-14-5-7(6(2)13-14)8(15)4-9(16)10(11)12;/h4-5,10,16H,3H2,1-2H3;/q;+1/p-1/b9-4-;
InChI Key:	KJRFRVHLGOICAP-WONROIIJSA-M

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	252.0686282
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.0686282
Rotatable Bond Count:	4
Topological Polar Surface Area:	58
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0