5-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

5-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

CAS: 78874-27-8

Formula: C10H6Cl2N2O2

SMILES: OC(=O)C1=NNC(=C1)C1=CC=C(Cl)C=C1Cl

IUPAC: 5-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C10H6Cl2N2O2/c11-5-1-2-6(7(12)3-5)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)

Composition: C (46.72%), H (2.35%), Cl (27.58%), N (10.90%), O (12.45%)

Molar Mass: 257.07

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.9806328
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WCZPMEQHESUUAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.25
Topological Polar Surface Area	65.98
Polarizability	24.22
Ring Count	2
Rotatable Bond Count	2

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