Ethyl 3- (2-fluorophenyl) propanoate

CAT: 0127-PC1026907-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC1026907-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

39856-89-8

MDL Number

MFCD07772968

Purity

98%

Smiles

O=C (OCC) CCC1=CC=CC=C1F

Chemical Information

Ethyl 3-(2-fluorophenyl)propanoate

CAS Number	39856-89-8
PubChem CID	14879014
IUPAC Name	ethyl 3-(2-fluorophenyl)propanoate
Molecular Formula	C11H13FO2
Molecular Weight	196.22
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	182

SMILES

CCOC(=O)CCC1=CC=CC=C1F

InChI

InChI=1S/C11H13FO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3

InChIKey

XZVQFYQJXPVOMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39856-89-8

CID: 14879014

Formula: C11H13FO2

MW: 196.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.22
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	196.08995782
Monoisotopic Mass	196.08995782
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	182
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
PC1004246-01	Ethyl 3- (3-fluorophenyl) propanoate
PC905458-01	Ethyl 3- (4-fluorophenyl) propanoate
PC108008	Ethyl 3- (4-amino-2-fluorophenyl) propanoate
PC6097	Ethyl 3-[ (4-fluorophenyl) amino]propanoate
PC32470	Ethyl 3-[ (4-fluorophenyl) thio]propanoate
PC1876	Ethyl 2-bromo-3-oxo-3- (3-fluorophenyl) propanoate
PC103801-01	(S) -Ethyl 2-amino-3- (4-fluorophenyl) propanoate hydrochloride
PC101587-01	(R) -Ethyl 2-amino-3- (4-fluorophenyl) propanoate hydrochloride
PC901544-01	Methyl 3- (2-fluorophenyl) propanoate
OR80394-01	Ethyl 3- (2-bromophenyl) propanoate

Catalog	Name
YDA92659-01	Ethyl 2-[ (4-fluorophenyl) amino]propanoate
sc-480289	Ethyl 3- (4-fluorophenyl) propanoate
BWA22265-01	Ethyl 2-cyano-3- (3-fluorophenyl) propanoate
YSA21677-01	Ethyl 2-bromo-3- (4-fluorophenyl) propanoate
AK ET T305-01	Ethyl 3-amino-3- (2-fluorophenyl) propanoate
GTR19251845-01	Ethyl 3-[ (4-fluorophenyl) thio]propanoate
HTA65451-01	Ethyl 2-amino-3- (3-fluorophenyl) propanoate hydrochloride
AK ET T330-01	Ethyl 3-amino-3- (4-fluorophenyl) propanoate
CVD03191-01	Ethyl 2-amino-3- (3-chloro-2-fluorophenyl) propanoate hydrochloride
JH750098	Ethyl 2-azido-propanoate