Ethyl 3- (4-fluorophenyl) -3-hydroxypropanoate

CAT: 0127-PC1023041-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1023041-01Size:500 mg

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CAS Number

70200-12-3

MDL Number

MFCD02252622

Purity

97%

Smiles

C1 (ccc (cc1) F) C (O) CC (=O) OCC

Chemical Information

Ethyl 3-(4-fluorophenyl)-3-hydroxypropanoate

CAS Number	70200-12-3
PubChem CID	11424387
IUPAC Name	ethyl 3-(4-fluorophenyl)-3-hydroxypropanoate
Molecular Formula	C11H13FO3
Molecular Weight	212.22
XLogP	1.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	200

SMILES

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

InChI

InChI=1S/C11H13FO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6,10,13H,2,7H2,1H3

InChIKey

HNYJEGAUZVYRDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70200-12-3

CID: 11424387

Formula: C11H13FO3

MW: 212.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.22
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	212.08487243
Monoisotopic Mass	212.08487243
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1023039-01	Ethyl 3- (3-fluorophenyl) -3-hydroxypropanoate
PC1009693-01	Ethyl 3- (4-chloro-3-fluorophenyl) -3-hydroxypropanoate
PC1023396-01	Ethyl 3- (3-bromo-4-fluorophenyl) -3-hydroxypropanoate
PC1025241-01	Ethyl 3- (2-fluorophenyl) -3-hydroxypropanoate
PC1023929-01	Ethyl 3- (2-bromo-4-fluorophenyl) -3-hydroxypropanoate
PC1023410-01	Ethyl 3- (4-bromo-2-fluorophenyl) -3-hydroxypropanoate
PC1012529-01	Ethyl 3- (2-chloro-4-fluorophenyl) -3-hydroxypropanoate
PC1023887-01	Ethyl 3- (4-chloro-2-fluorophenyl) -3-hydroxypropanoate
PC430250	Ethyl 2,2-difluoro-3- (4-fluorophenyl) -3-hydroxypropanoate
PC1019464-01	Ethyl 3- (2,4-dibromo-6-fluorophenyl) -3-hydroxypropanoate

Catalog	Name
YJC20735-01	Ethyl 2-amino-3- (4-chloro-3-fluorophenyl) -3-hydroxypropanoate
VCA20016	Ethyl 3- (4-bromophenyl) -3-hydroxypropanoate
XZB14972-01	Ethyl 3- (3,4-difluorophenyl) -3-hydroxypropanoate
DNA39603-01	Ethyl 3-[4- (benzyloxy) phenyl]-3-hydroxypropanoate
AAC35714-01	Ethyl 2- (3,4-difluorophenyl) -2-hydroxypropanoate
GGD25914-01	Ethyl 2-amino-3- (4-chlorophenyl) -3-hydroxypropanoate hydrochloride
sc-480289	Ethyl 3- (4-fluorophenyl) propanoate
164091	Ethyl 4- (4-Fluorophenyl) -3-oxobutanoate
TRC-E917960-5G	Ethyl 4-(4-Fluorophenyl)-3-oxobutanoate
HY-77160-01	Ethyl 3- (4-fluorophenyl) -3-oxopropanoate