2-Ethoxy-5-fluorobenzoic acid

CAT: 0127-PC1026094Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC1026094Size:1 Each

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CAS Number

445-93-2

MDL Number

MFCD11639882

Purity

95%

Smiles

C1 (ccc (c (c1) C (=O) O) OCC) F

Chemical Information

2-Ethoxy-5-fluorobenzoic acid

CAS Number	445-93-2
PubChem CID	60767223
IUPAC Name	2-ethoxy-5-fluorobenzoic acid
Molecular Formula	C9H9FO3
Molecular Weight	184.16
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

CCOC1=C(C=C(C=C1)F)C(=O)O

InChI

InChI=1S/C9H9FO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)

InChIKey

DQWNXYSDEOYKJX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 445-93-2

CID: 60767223

Formula: C9H9FO3

MW: 184.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.16
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.05357231
Monoisotopic Mass	184.05357231
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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
PC1025809-01	5-Ethoxy-2-fluorobenzoic acid
PC1010591	3-Ethoxy-5-fluorobenzoic acid
PC1012793-01	5-Chloro-2-ethoxy-3-fluorobenzoic acid
PC1014191-01	5-Chloro-4-ethoxy-2-fluorobenzoic acid
PC1012938-01	5-Bromo-3-ethoxy-2-fluorobenzoic acid
PC901467-01	3-Ethoxy-2-fluorobenzoic acid
PC1014705-01	4-bromo-5-ethoxy-2-fluorobenzoic acid
PC1012854-01	5-Bromo-2-ethoxy-3-fluorobenzoic acid
PC1016072	2-Chloro-4-ethoxy-5-fluorobenzoic acid
PC1016388-01	2-Chloro-3-ethoxy-5-fluorobenzoic acid

Catalog	Name
AEC53996-01	3-Ethoxy-5-fluorobenzoic acid
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YZB78746-01	2-Ethoxy-3-fluorobenzoic acid
CLB15291-01	2-Ethoxy-6-fluorobenzoic acid
VSA02629-01	3-Ethoxy-4-fluorobenzoic acid
IDC68171-01	2-Amino-3-ethoxy-6-fluorobenzoic acid
TEB46722-01	6-Bromo-3-ethoxy-2-fluorobenzoic acid
PYB38311-01	5- (Difluoromethoxy) -2-fluorobenzoic acid
HY-34053-01	2-Amino-5-fluorobenzoic acid
006278	5-Chloro-2-fluorobenzoic Acid