ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate

ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate

CAS: 1326811-82-8

Formula: C12H11BrN2O2

SMILES: CCOC(=O)C1=NNC(=C1)C1=CC=CC(Br)=C1

IUPAC: ethyl 5-(3-bromophenyl)-1H-pyrazole-3-carboxylate

InChI: InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,15)

Composition: C (48.84%), H (3.76%), Br (27.07%), N (9.49%), O (10.84%)

Molar Mass: 295.136

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	294.000391
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KUJTYJNKBBDFIY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.78
Topological Polar Surface Area	54.98
Polarizability	27.1
Ring Count	2
Rotatable Bond Count	4

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