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Hydroxy Boscalid

CAT: 1596-AR-B01902-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B01902-02Size:25 Units
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CAS Number
661463-87-2
Synonyms
2-chloro-N- (4'-chloro-5-hydroxy-[1,1'-biphenyl]-2-yl) nicotinamide; N- (5-Hydroxy-4'-chloro-1,1'-biphenyl-2-yl) -2-chloropyridine-3-carboxamide
Molecular Formula
C18H12Cl2N2O2
Molecular Weight
359.21
API Name
Boscalid

Chemical Information

Boscalid-5-hydroxy
CAS Number661463-87-2
PubChem CID129316409
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)-4-hydroxyphenyl]pyridine-3-carboxamide
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.2
XLogP4.5
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity429
SMILES
C1=CC(=C(N=C1)Cl)C(=O)NC2=C(C=C(C=C2)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H12Cl2N2O2/c19-12-5-3-11(4-6-12)15-10-13(23)7-8-16(15)22-18(24)14-2-1-9-21-17(14)20/h1-10,23H,(H,22,24)
InChIKey
GLTMLPGXPMAIOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boscalid-5-hydroxy
CAS: 661463-87-2
CID: 129316409
Formula: C18H12Cl2N2O2
MW: 359.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.2
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass358.0275830
Monoisotopic Mass358.0275830
Topological Polar Surface Area62.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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