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4-Nitrophenacyl Chloride

CAT: 0572-TRC-N496930-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N496930-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34006-49-0
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)c1ccc(cc1)C(=O)CCl
Molecular Formula
C8 H6 Cl N O3
Molecular Weight
199.591
InChI
InChI=1S/C8H6ClNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
Additionnal Information
IUPAC name: 2-chloro-1-(4-nitrophenyl)ethanone
Shipping Conditions
Room Temperature

Chemical Information

2-Chloro-1-(4-nitrophenyl)ethanone
CAS Number34006-49-0
PubChem CID264291
IUPAC Name2-chloro-1-(4-nitrophenyl)ethanone
Molecular FormulaC8H6ClNO3
Molecular Weight199.59
XLogP2.2
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity206
SMILES
C1=CC(=CC=C1C(=O)CCl)[N+](=O)[O-]
InChI
InChI=1S/C8H6ClNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
InChIKey
YKLMHYUFNDAZAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-1-(4-nitrophenyl)ethanone
CAS: 34006-49-0
CID: 264291
Formula: C8H6ClNO3
MW: 199.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.59
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass199.0036207
Monoisotopic Mass199.0036207
Topological Polar Surface Area62.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity206
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

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