chempirical

Boscalid

C18H12Cl2N2OCAS 188425-85-6343.21 g/mol

Open in Covalent MOL file
OHNClNCl
Aryl halide

Properties

Molecular formula
C18H12Cl2N2O
Molar mass
343.21 g/mol
Exact mass
342.0327 Da
Density
1.381 g/mL (at 20 °C)
Melting point
143 °C
Water solubility
4.6 mg/L (20 °C)
logP
5.69Crippen estimate
Polar surface area
45.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Environmental Hazard (GHS09)

Aggregated from 178 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
188425-85-6
SMILES
OC(=Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl
InChIKey
WYEMLYFITZORAB-UHFFFAOYSA-N
InChI
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)

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Names and synonyms

12 names
  • 3-Pyridinecarboxamide, 2-chloro-N-(4′-chloro[1,1′-biphenyl]-2-yl)-
  • 2-Chloro-N-(4′-chloro[1,1′-biphenyl]-2-yl)-3-pyridinecarboxamide
  • Nicobifen
  • BAS 510F
  • Filan
  • Cantus
  • Endura
  • F 510
  • 2-Chloro-N-(4′-chlorobiphenyl-2-yl)nicotinamide
  • Emerald (fungicide)
  • Emerald
  • 2-Chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide

Work with Boscalid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide133627-46-049 % similar 4'-Chloro-biphenyl-2-carboxylic acid7079-15-444 % similar 5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one885-70-143 % similar 2-Chloronicotinamide10366-35-543 % similar 2-Chloronicotinic acid2942-59-843 % similar 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one50892-62-142 % similar 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one3158-91-640 % similar N-(5-Chloro-2-methylphenyl)-3-hydroxy-2-naphthalenecarboxamide135-63-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook