3-(3-bromothiophen-2-yl)-1H-pyrazole

3-(3-bromothiophen-2-yl)-1H-pyrazole

CAS: 166196-68-5

Formula: C7H5BrN2S

SMILES: BrC1=C(SC=C1)C1=NNC=C1

IUPAC: 3-(3-bromothiophen-2-yl)-1H-pyrazole

InChI: InChI=1S/C7H5BrN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)

Composition: C (36.70%), H (2.20%), Br (34.88%), N (12.23%), S (13.99%)

Molar Mass: 229.1

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	227.935682
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	GHQQEFVAZIMSDU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.02
Topological Polar Surface Area	28.68
Polarizability	19.56
Ring Count	2
Rotatable Bond Count	1

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