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3,5-Difluorobenzhydrazide

CAT: 0127-PC8562-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC8562-01Size:1 g
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CAS Number
244022-63-7
Synonyms
3,5-Difluorobenzoic acid hydrazide, 3,5-Difluorobenzohydrazide
MDL Number
MFCD01310810
Purity
97%
Smiles
NNC(=O)c1cc(F)cc(F)c1
Storage Conditions
Store at 2-8°C

Chemical Information

3,5-Difluorobenzohydrazide
CAS Number244022-63-7
PubChem CID2736924
IUPAC Name3,5-difluorobenzohydrazide
Molecular FormulaC7H6F2N2O
Molecular Weight172.13
XLogP0.7
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
C1=C(C=C(C=C1F)F)C(=O)NN
InChI
InChI=1S/C7H6F2N2O/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12)
InChIKey
DYVVBJWZTNZTBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Difluorobenzohydrazide
CAS: 244022-63-7
CID: 2736924
Formula: C7H6F2N2O
MW: 172.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.13
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass172.04481914
Monoisotopic Mass172.04481914
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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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