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2-Chloro-4-fluorobenzohydrazide

CAT: 0127-PC1004046-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1004046-01Size:250 mg
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CAS Number
123614-86-8
MDL Number
MFCD09734700
Purity
95%
Smiles
O=C(NN)C1=CC=C(F)C=C1Cl

Chemical Information

2-Chloro-4-fluorobenzohydrazide
CAS Number123614-86-8
PubChem CID16787932
IUPAC Name2-chloro-4-fluorobenzohydrazide
Molecular FormulaC7H6ClFN2O
Molecular Weight188.59
XLogP0.2
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity179
SMILES
C1=CC(=C(C=C1F)Cl)C(=O)NN
InChI
InChI=1S/C7H6ClFN2O/c8-6-3-4(9)1-2-5(6)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKey
FZUCKUWPBURKTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-fluorobenzohydrazide
CAS: 123614-86-8
CID: 16787932
Formula: C7H6ClFN2O
MW: 188.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.59
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass188.0152687
Monoisotopic Mass188.0152687
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity179
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