4-Fluoro-2-propoxybenzoic acid

CAT: 0127-PC51389Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC51389Size:1 Each

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CAS Number

1378666-16-0

MDL Number

MFCD14582792

Purity

=95%

Smiles

CCCOc1cc(F)ccc1C(=O)O

Chemical Information

4-Fluoro-2-n-propoxybenzoic acid

CAS Number	1378666-16-0
PubChem CID	74889363
IUPAC Name	4-fluoro-2-propoxybenzoic acid
Molecular Formula	C10H11FO3
Molecular Weight	198.19
XLogP	2.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

CCCOC1=C(C=CC(=C1)F)C(=O)O

InChI

InChI=1S/C10H11FO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)

InChIKey

QMFDSPJDRIJIMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378666-16-0

CID: 74889363

Formula: C10H11FO3

MW: 198.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.19
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	198.06922237
Monoisotopic Mass	198.06922237
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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
PC8853	2-Fluoro-4-propoxybenzoic acid
PC1014475	3-Fluoro-4-propoxybenzoic acid
PC1010854	4-fluoro-3-propoxybenzoic acid
PC1018743-01	2-Ethoxy-3-fluoro-4-propoxybenzoic acid
PC1018195-01	3-Fluoro-2-methoxy-4-propoxybenzoic acid
PC1018074-01	3-Fluoro-2- (methylthio) -4-propoxybenzoic acid
PC1015086	2-Fluoro-5-propoxybenzoic acid
PC1019393-01	3-Fluoro-2-formyl-4-propoxybenzoic acid
PC1016447	2-Fluoro-3-propoxybenzoic acid
PC1010109	5-Fluoro-2-n-propoxybenzoic acid

Catalog	Name
FP61815-01	4-Propoxybenzoic Acid
EWB27543-01	2- (Cyclopentyloxy) -4-propoxybenzoic acid
FWB11854-01	2-Butoxy-4-propoxybenzoic acid
EWB27651-01	2-Ethoxy-4-propoxybenzoic acid
MDA35970-01	4-Methoxy-2-propoxybenzoic acid
EWB27655-01	2- (Benzyloxy) -4-propoxybenzoic acid
EWB27648-01	2- (Difluoromethoxy) -4-propoxybenzoic acid
EEA21701-01	2-Methoxy-4-propoxybenzoic acid
430869-01	4-Bromo-2-propoxybenzoic acid
020090	2-Propoxybenzoic Acid