Methyl 3- (2-fluorophenyl) -2-hydroxybutanoate

CAT: 0926-LLC00751-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LLC00751-01Size:50 mg

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CAS Number

1536007-51-8

MDL Number

MFCD21741667

Smiles

CC (C1=CC=CC=C1F) C (C (=O) OC) O

Molecular Formula

C11H13FO3

Molecular Weight

212.22 g/mol

Controlled

Chemical Information

Methyl 3-(2-fluorophenyl)-2-hydroxybutanoate

CAS Number	1536007-51-8
PubChem CID	66287754
IUPAC Name	methyl 3-(2-fluorophenyl)-2-hydroxybutanoate
Molecular Formula	C11H13FO3
Molecular Weight	212.22
XLogP	1.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	220

SMILES

CC(C1=CC=CC=C1F)C(C(=O)OC)O

InChI

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

InChIKey

GYFYJRXNMPBNSZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1536007-51-8

CID: 66287754

Formula: C11H13FO3

MW: 212.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.22
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	212.08487243
Monoisotopic Mass	212.08487243
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
EBA67447-01	Methyl 2-hydroxybutanoate
FM16092-01	(R) -Methyl 2-hydroxybutanoate
FM71684-01	(S) -Methyl-2-hydroxybutanoate
VLD12334	Methyl 2-amino-3-hydroxybutanoate hydrochloride
FDD47457-01	Methyl (2S,3R) -2- (ethylamino) -3-hydroxybutanoate
NYC57868-01	Methyl 2-{[ (tert-butoxy) carbonyl]amino}-3-hydroxybutanoate
FDD47367-01	Methyl (2S,3R) -2- (cyclopropylamino) -3-hydroxybutanoate hydrochloride
KYB84386-01	Methyl 2- (3-fluorophenyl) -2-hydroxyacetate
MCA82644-01	2-[ (3-Fluorophenyl) methyl]oxirane
RQB49934-01	2-[ (3-Fluorophenyl) methyl]pyrrolidine

Catalog	Name
454970-01	Methyl 2-Hydroxybutanoate
OR1001905-01	Methyl (S) -2-hydroxybutanoate
281886-01	(R) -Methyl 2-hydroxybutanoate
PC1024775-01	Methyl 3- (4-fluorophenyl) -3-hydroxybutanoate
abx180801-01	Methyl 2-amino-3-hydroxybutanoate hydrochloride
OR1097484-01	Methyl 3- (2-bromophenyl) -3-hydroxybutanoate
OR1035422-01	(S) -Methyl 4-amino-2-hydroxybutanoate hydrochloride
OR1058258-01	(2S,3R) -Methyl 2-acetamido-3-hydroxybutanoate
454717-01	Methyl 2- (2-fluorophenyl) acetate
PC28120-01	2-[ (2-Fluorophenyl) methyl]propanedinitrile