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4-Chloro-3-(4-chloro-3-formylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole

HCID 15220189
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Basic information

Standard SMILES
Cn1nc(-c2ccc(Cl)c(C=O)c2)c(Cl)c1OC(F)F
InChIKey
ZQHBQXSKGFZQKU-UHFFFAOYSA-N
Molecular formula
C12H8Cl2F2N2O2
Average molar mass
321.1 g/mol

Names & identifiers

Preferred name
4-Chloro-3-(4-chloro-3-formylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
IUPAC
2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde

Names & synonyms

4-Chloro-3-(4-chloro-3-formylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazoleSCHEMBL7707669

Database identifiers

PubChem CID
15220189

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
351

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Related reactions

7 records
New reaction record
HRID 88804 reaction equation
HRID 88804As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 583037 reaction equation
HRID 583037As reactantuspto-grants-1999_07
HRID 583038 reaction equation
HRID 583038As reactantuspto-grants-1999_07
HRID 583039 reaction equation
HRID 583039As reactantuspto-grants-1999_07
HRID 700492 reaction equation
HRID 700492As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 823909 reaction equation
HRID 823909As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1599985 reaction equation
HRID 1599985As productuspto-grants-1998_04

Compound notes

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