4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

CAS: 1257842-67-3

Formula: C5H2BrF3N2O2

SMILES: OC(=O)C1=NNC(=C1Br)C(F)(F)F

IUPAC: 4-bromo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C5H2BrF3N2O2/c6-1-2(4(12)13)10-11-3(1)5(7,8)9/h(H,10,11)(H,12,13)

Composition: C (23.19%), H (0.78%), Br (30.85%), F (22.01%), N (10.82%), O (12.36%)

Molar Mass: 258.982

Atom Count: 15

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.925175
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CXCYQTXIWGFXEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.1
Topological Polar Surface Area	65.98
Polarizability	14.57
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1257842-67-3		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02