Ethyl 2- (3,4-difluorophenyl) -2-hydroxyacetate

CAT: 0926-YZB71987-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YZB71987-01Size:50 mg

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CAS Number

1248719-87-0

MDL Number

MFCD16661858

Smiles

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

Molecular Formula

C10H10F2O3

Molecular Weight

216.18 g/mol

Controlled

Chemical Information

Ethyl 2-(3,4-difluorophenyl)-2-hydroxyacetate

CAS Number	1248719-87-0
PubChem CID	60711434
IUPAC Name	ethyl 2-(3,4-difluorophenyl)-2-hydroxyacetate
Molecular Formula	C10H10F2O3
Molecular Weight	216.18
XLogP	1.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	223

SMILES

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

InChI

InChI=1S/C10H10F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3

InChIKey

AGBLMWRLLTXJSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1248719-87-0

CID: 60711434

Formula: C10H10F2O3

MW: 216.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.18
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	216.05980050
Monoisotopic Mass	216.05980050
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	223
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
BQB15902-01	Methyl 2- (3,4-difluorophenyl) -2-hydroxyacetate
RAD84688-01	Methyl 2- (3-chloro-2,4-difluorophenyl) -2-hydroxyacetate
XZB61904-01	Ethyl 2- (4-chloro-3-fluorophenyl) -2-hydroxyacetate
XZB07965-01	Ethyl 2- (3-bromo-4-methoxyphenyl) -2-hydroxyacetate
JNC12772-01	(R) -methyl 2- (3,5-difluorophenyl) -2-hydroxyacetate
IBA48724-01	Ethyl 2-cyclopentyl-2-hydroxyacetate
KXB38766-01	Ethyl 2-cyclopropyl-2-hydroxyacetate
AAC35714-01	Ethyl 2- (3,4-difluorophenyl) -2-hydroxypropanoate
RPD13814-01	2- (Dimethylamino) ethyl 2-hydroxyacetate hydrochloride
LFB37265-01	4-[2- (2,4-Difluorophenyl) ethyl]piperidine

Catalog	Name
OR1064965-01	Ethyl 2- (4-cyanophenyl) -2-hydroxyacetate
PC1017154-01	(2-Ethyl-3,4-difluorophenyl) methanol
PC53425	4-[2- (3,4-difluorophenyl) ethyl]piperidine
PC1009663-01	Ethyl 3- (2,4-difluorophenyl) -3-hydroxypropanoate
PC1842-01	Ethyl 3- (2,4-difluorophenyl) -3-oxopropanoate
PC510340	Ethyl 2- (3,4-Difluorophenyl) -2,2-difluoroacetate
PC109355-01	Ethyl (2,4-difluorophenyl) carbamate
PC1023244-01	(2,4-Difluorophenyl) (ethyl) sulfane
sc-315380	4-[2- (3,5-Difluorophenyl) ethyl]piperidine
PC1019410-01	(4-bromo-2,3-difluorophenyl) (ethyl) sulfane