6-bromo-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-bromo-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 499190-16-8

Formula: C7H3BrClN3O2

SMILES: OC(=O)C1=NN2C=C(Br)C=NC2=C1Cl

IUPAC: 6-bromo-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C7H3BrClN3O2/c8-3-1-10-6-4(9)5(7(13)14)11-12(6)2-3/h1-2H,(H,13,14)

Composition: C (30.41%), H (1.09%), Br (28.90%), Cl (12.82%), N (15.20%), O (11.57%)

Molar Mass: 276.47

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	274.909717
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SJPCXFJYCLTDKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.09
Topological Polar Surface Area	67.49
Polarizability	19.94
Ring Count	2
Rotatable Bond Count	1

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