Ethyl 3- (2-fluorophenyl) -3-hydroxypropanoate

CAT: 0127-PC1025241-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1025241-01Size:250 mg

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CAS Number

70200-11-2

MDL Number

MFCD16749044

Purity

97%

Smiles

C1cccc (c1F) C (CC (=O) OCC) O

Chemical Information

Ethyl 3-(2-fluorophenyl)-3-hydroxypropanoate

CAS Number	70200-11-2
PubChem CID	12566297
IUPAC Name	ethyl 3-(2-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	208

SMILES

CCOC(=O)CC(C1=CC=CC=C1F)O

InChI

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

InChIKey

QGUBVBGGDXGMQS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 70200-11-2

CID: 12566297

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	208
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
PC1023041-01	Ethyl 3- (4-fluorophenyl) -3-hydroxypropanoate
PC1013721-01	Ethyl 3- (3-bromo-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
PC1024804-01	Ethyl 3- (2-bromo-6-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
BAA99392-01	Ethyl 2-fluoro-3-hydroxypropanoate
SDA23423-01	Ethyl 3-bromo-2-hydroxypropanoate
AAA38041-01	Ethyl 2,2-difluoro-3-hydroxypropanoate
MLC32913-01	Ethyl 3- (3-bromophenyl) -2-hydroxypropanoate
JH475268	Ethyl (2R)-2-hydroxypropanoate
sc-263170	Ethyl 2-amino-3-hydroxypropanoate hydrochloride
AAC35714-01	Ethyl 2- (3,4-difluorophenyl) -2-hydroxypropanoate
QCC36863-01	Ethyl 3- (5-bromo-2-methoxyphenyl) -3-hydroxypropanoate
JH232443	Ethyl (2S) -2-amino-3-hydroxypropanoate, hydrochloride