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2,5-Difluorobenzhydrazide

CAT: 0127-PC9952-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
265644-03-9
Synonyms
2,5-Difluorobenzoic acid hydrazide, 2,5-Difluorobenzohydrazide
MDL Number
MFCD02183537
Purity
=95%
Smiles
NNC(=O)c1cc(F)ccc1F
Storage Conditions
Store at 2-8°C

Chemical Information

2,5-Difluorobenzohydrazide
CAS Number265644-03-9
PubChem CID2774074
IUPAC Name2,5-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
Complexity177
SMILES
C1=CC(=C(C=C1F)C(=O)NN)F
InChI
InChI=1S/C7H6F2N2O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKey
WNRRZAITMSBJFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Difluorobenzohydrazide
CAS: 265644-03-9
CID: 2774074
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
Complexity177
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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