Ethyl 2- (3-fluorophenyl) acetate

CAT: 0127-PC907941-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC907941-01Size:1 g

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CAS Number

587-47-3

MDL Number

MFCD11555043

Purity

95%

Smiles

CCOC(=O)Cc1cccc(F)c1

Chemical Information

Ethyl 2-(3-fluorophenyl)acetate

CAS Number	587-47-3
PubChem CID	11735538
IUPAC Name	ethyl 2-(3-fluorophenyl)acetate
Molecular Formula	C10H11FO2
Molecular Weight	182.19
XLogP	2.3
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

CCOC(=O)CC1=CC(=CC=C1)F

InChI

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

InChIKey

PCRDXLQMKAJOMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 587-47-3

CID: 11735538

Formula: C10H11FO2

MW: 182.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.19
XLogP3	2.3
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
PC910928-01	Ethyl 2-[ (3-fluorophenyl) amino]acetate
PC408245-01	Ethyl 2- (4-fluorophenyl) acetate
PC110380	Ethyl 2,2-difluoro-2- (3-fluorophenyl) acetate
PC1009791-01	Ethyl 2- (3-chloro-5-fluorophenyl) acetate
PC100223-01	Ethyl 2- (3-amino-4-fluorophenyl) acetate
PC510288	Ethyl 2- (3-Chloro-4-fluorophenyl) acetate
PC103804-01	Ethyl 2- (4-bromo-3-fluorophenyl) acetate
PC56936-01	Ethyl 2- (2-fluorophenyl) -2-oxo-acetate
PC10102	Ethyl (2-chloro-6-fluorophenyl) acetate
PC300846	Ethyl chloro[ (2-fluorophenyl) hydrazono]acetate

Catalog	Name
448800-01	Ethyl 2-[ (3-fluorophenyl) amino]acetate
448765-01	Ethyl 2- (4-fluorophenyl) acetate
448624-01	Ethyl [ (4-fluorophenyl) amino]acetate
sc-263125A	Ethyl [ (3-chloro-4-fluorophenyl) amino]acetate
ICB22023-01	Ethyl 2-cyano-2- (3-fluorophenyl) acetate
WBC22382	Ethyl 2- (4-bromo-3-fluorophenyl) acetate
WTB90726-01	Ethyl 2-[ (3-chloro-4-fluorophenyl) sulfanyl]acetate
sc-506730	Ethyl chloro[ (4-fluorophenyl) hydrazono]acetate
sc-351747A	Ethyl 2-[ (2-fluorophenyl) amino]acetate
sc-279038	Ethyl [ (chloroacetyl) (4-fluorophenyl) amino]acetate