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2,3-Dichlorobenzaldehyde oxime

CAT: 0926-FD67865-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FD67865-01Size:10 g
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CAS Number
4414-54-4
MDL Number
MFCD00832902
Smiles
C1=CC (=C (C (=C1) Cl) Cl) /C=N/O
Molecular Formula
C7H5Cl2NO
Molecular Weight
190.03 g/mol
Controlled
No

Chemical Information

2,3-Dichlorobenzaldoxime

See also: N-[(2,3-dichlorophenyl)methylidene]hydroxylamine (annotation moved to).

CAS Number4414-54-4
PubChem CID6906780
IUPAC Name(NE)-N-[(2,3-dichlorophenyl)methylidene]hydroxylamine
Molecular FormulaC7H5Cl2NO
Molecular Weight190.02
XLogP2.9
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1=CC(=C(C(=C1)Cl)Cl)/C=N/O
InChI
InChI=1S/C7H5Cl2NO/c8-6-3-1-2-5(4-10-11)7(6)9/h1-4,11H/b10-4+
InChIKey
UDEADLUKAYYZNF-ONNFQVAWSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dichlorobenzaldoxime
CAS: 4414-54-4
CID: 6906780
Formula: C7H5Cl2NO
MW: 190.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.02
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass188.9748192
Monoisotopic Mass188.9748192
Topological Polar Surface Area32.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
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

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