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4-fluorobutanoic acid

CAT: 0572-TRC-B439485-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B439485-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
462-23-7
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II
Smiles
OC(=O)CCCF
Molecular Formula
C4H7FO2
Molecular Weight
106.1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-fluorobutanoic Acid
CAS Number462-23-7
PubChem CID10411
IUPAC Name4-fluorobutanoic acid
Molecular FormulaC4H7FO2
Molecular Weight106.10
XLogP0.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
C(CC(=O)O)CF
InChI
InChI=1S/C4H7FO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey
BDXSWIQVLYXSSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-fluorobutanoic Acid
CAS: 462-23-7
CID: 10411
Formula: C4H7FO2
MW: 106.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.10
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass106.04300762
Monoisotopic Mass106.04300762
Topological Polar Surface Area37.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
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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