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5'-Fluoro-2'-hydroxy-3'-nitroacetophenone

CAT: 0024-sc-233485Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-233485Size:1 g
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CAS Number
70978-39-1

Chemical Information

5'-Fluoro-2'-hydroxy-3'-nitroacetophenone
CAS Number70978-39-1
PubChem CID2758984
IUPAC Name1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
Molecular FormulaC8H6FNO4
Molecular Weight199.14
XLogP1.7
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity252
SMILES
CC(=O)C1=C(C(=CC(=C1)F)[N+](=O)[O-])O
InChI
InChI=1S/C8H6FNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChIKey
YVTPUCHIOSGVSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5'-Fluoro-2'-hydroxy-3'-nitroacetophenone
CAS: 70978-39-1
CID: 2758984
Formula: C8H6FNO4
MW: 199.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.14
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass199.02808583
Monoisotopic Mass199.02808583
Topological Polar Surface Area83.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity252
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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