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4-Bromo-2-chlorobenzhydrazide

CAT: 0926-GIA55939Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-GIA55939Size:2.5 g
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CAS Number
206559-39-9
MDL Number
MFCD00270095
Smiles
C1=CC (=C (C=C1Br) Cl) C (=O) NN
Molecular Formula
C7H6BrClN2O
Molecular Weight
249.49 g/mol
Controlled
No

Chemical Information

4-Bromo-2-chlorobenzhydrazide
CAS Number206559-39-9
PubChem CID2735542
IUPAC Name4-bromo-2-chlorobenzohydrazide
Molecular FormulaC7H6BrClN2O
Molecular Weight249.49
XLogP0.8
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity179
SMILES
C1=CC(=C(C=C1Br)Cl)C(=O)NN
InChI
InChI=1S/C7H6BrClN2O/c8-4-1-2-5(6(9)3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKey
ITRFHDNPGFOLFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-chlorobenzhydrazide
CAS: 206559-39-9
CID: 2735542
Formula: C7H6BrClN2O
MW: 249.49
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight249.49
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass247.93520
Monoisotopic Mass247.93520
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