Propyl 2-fluorobenzoate

CAT: 0127-PC1001647-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1001647-01Size:100 mg

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CAS Number

811465-80-2

Purity

98%

Smiles

O=C(C1=C(F)C=CC=C1)OCCC

Chemical Information

Propyl 2-fluorobenzoate

CAS Number	811465-80-2
PubChem CID	579708
IUPAC Name	propyl 2-fluorobenzoate
Molecular Formula	C10H11FO2
Molecular Weight	182.19
XLogP	3.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	170

SMILES

CCCOC(=O)C1=CC=CC=C1F

InChI

InChI=1S/C10H11FO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3

InChIKey

IOQAFIPZQVBMTK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 811465-80-2

CID: 579708

Formula: C10H11FO2

MW: 182.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.19
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	182.07430775
Monoisotopic Mass	182.07430775
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170
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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