tert-butyl 5-bromo-1H-pyrazole-3-carboxylate

tert-butyl 5-bromo-1H-pyrazole-3-carboxylate

CAS: 2089292-35-1

Formula: C8H11BrN2O2

SMILES: CC(C)(C)OC(=O)C1=NNC(Br)=C1

IUPAC: tert-butyl 5-bromo-1H-pyrazole-3-carboxylate

InChI: InChI=1S/C8H11BrN2O2/c1-8(2,3)13-7(12)5-4-6(9)11-10-5/h4H,1-3H3,(H,10,11)

Composition: C (38.89%), H (4.49%), Br (32.34%), N (11.34%), O (12.95%)

Molar Mass: 247.092

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.000391
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VPIWWRZZTQAJFT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.61
Topological Polar Surface Area	54.98
Polarizability	20.12
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2089292-35-1		$66.83-$117.27$66.83$117.27