4-Fluorophthalide

CAT: 0127-PC500776Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC500776Size:1 Each

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CAS Number

2211-81-6

MDL Number

MFCD15146042

Purity

=95%

Smiles

Fc1cccc2C(=O)OCc12

Chemical Information

4-Fluoro-1,3-dihydro-2-benzofuran-1-one

CAS Number	2211-81-6
PubChem CID	12649519
IUPAC Name	4-fluoro-3H-2-benzofuran-1-one
Molecular Formula	C8H5FO2
Molecular Weight	152.12
XLogP	1.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	181

SMILES

C1C2=C(C=CC=C2F)C(=O)O1

InChI

InChI=1S/C8H5FO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2

InChIKey

IQPUBERHUFXEHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2211-81-6

CID: 12649519

Formula: C8H5FO2

MW: 152.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.12
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	152.02735756
Monoisotopic Mass	152.02735756
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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