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Reference substances

Reference substances

IUPAC name:
{4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-4H-1,2,4-triazol-3-yl}methanol

Inventory

EC number:
259-023-1
EC name:
2',5-dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone
CAS number:
54196-62-2
CAS number:
54196-62-2
Synonyms
Names:
{5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl}(2-chlorophenyl)methanone

Molecular and structural information

Molecular formula:
C17H13Cl2N3O2
Molecular weight:
362.21
SMILES notation:
Cc1nnc(CO)n1c2ccc(Cl)cc2C(=O)c3ccccc3Cl
InChl:
InChI=1/C17H13Cl2N3O2/c1-10-20-21-16(9-23)22(10)15-7-6-11(18)8-13(15)17(24)12-4-2-3-5-14(12)19/h2-8,23H,9H2,1H3
Structural formula:
Chemical structure

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