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(2E) -3- (2,4-Dichlorophenyl) prop-2-enehydrazide

CAT: 0127-OR32667-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-OR32667-01Size:500 mg
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CAS Number
876729-84-9
MDL Number
MFCD04125159
Purity
Tech
Smiles
NNC(=O)\C=C\c1ccc(Cl)cc1Cl

Chemical Information

(E)-3-(2,4-dichlorophenyl)-2-propenohydrazide
CAS Number876729-84-9
PubChem CID5924112
IUPAC Name(E)-3-(2,4-dichlorophenyl)prop-2-enehydrazide
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08
XLogP2
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity233
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)NN
InChI
InChI=1S/C9H8Cl2N2O/c10-7-3-1-6(8(11)5-7)2-4-9(14)13-12/h1-5H,12H2,(H,13,14)/b4-2+
InChIKey
WWOAAMJEUHUILM-DUXPYHPUSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(2,4-dichlorophenyl)-2-propenohydrazide
CAS: 876729-84-9
CID: 5924112
Formula: C9H8Cl2N2O
MW: 231.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight231.08
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass230.0013683
Monoisotopic Mass230.0013683
Topological Polar Surface Area55.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes