3-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]-1H-1,2,4-triazole

3-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]-1H-1,2,4-triazole

CAS: 241146-94-1

Formula: C13H8Cl2N4O

SMILES: ClC1=CC(Cl)=C(C=C1)C(=O)C1=CNC(=C1)C1=NNC=N1

IUPAC: 3-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]-1H-1,2,4-triazole

InChI: InChI=1S/C13H8Cl2N4O/c14-8-1-2-9(10(15)4-8)12(20)7-3-11(16-5-7)13-17-6-18-19-13/h1-6,16H,(H,17,18,19)

Composition: C (50.84%), H (2.63%), Cl (23.08%), N (18.24%), O (5.21%)

Molar Mass: 307.13

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	306.0075163
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XOKHXJOIILDLQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.15
Topological Polar Surface Area	74.43
Polarizability	29.69
Ring Count	3
Rotatable Bond Count	3

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