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2-Chlorobenzaldehyde Oxime

CAT: 0572-TRC-C364665-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C364665-10GSize:10 g
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CAS Number
3717-28-0
Synonyms
2-Chlorobenzaldehyde oxime; 2-Chlorobenzaldoxime; NSC 61415; o-Chlorobenzaldehyde oxime; o-Chlorobenzaldoxime
Hazard Statement
No Data Available
Smiles
ON=Cc1ccccc1Cl
Molecular Formula
C7H6ClNO
Molecular Weight
155.58
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benzaldehyde, 2-chloro-, oxime
CAS Number3717-28-0
PubChem CID6861540
IUPAC Name(NE)-N-[(2-chlorophenyl)methylidene]hydroxylamine
Molecular FormulaC7H6ClNO
Molecular Weight155.58
XLogP2.6
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC=C(C(=C1)/C=N/O)Cl
InChI
InChI=1S/C7H6ClNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
InChIKey
FZIVKDWRLLMSEJ-WEVVVXLNSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde, 2-chloro-, oxime
CAS: 3717-28-0
CID: 6861540
Formula: C7H6ClNO
MW: 155.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.58
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass155.0137915
Monoisotopic Mass155.0137915
Topological Polar Surface Area32.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
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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