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2-Chloro-6-nitrobenzaldehyde

CAT: 0024-sc-206433ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-206433ASize:5 g
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CAS Number
6361-22-4

Chemical Information

2-Chloro-6-nitrobenzaldehyde
CAS Number6361-22-4
PubChem CID80701
IUPAC Name2-chloro-6-nitrobenzaldehyde
Molecular FormulaC7H4ClNO3
Molecular Weight185.56
XLogP1.9
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity192
SMILES
C1=CC(=C(C(=C1)Cl)C=O)[N+](=O)[O-]
InChI
InChI=1S/C7H4ClNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H
InChIKey
RZDOUWDCYULHJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-6-nitrobenzaldehyde
CAS: 6361-22-4
CID: 80701
Formula: C7H4ClNO3
MW: 185.56
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight185.56
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass184.9879707
Monoisotopic Mass184.9879707
Topological Polar Surface Area62.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity192
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