Methyl 3- (2-bromophenyl) -3-hydroxybutanoate

CAT: 0127-OR1097484-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097484-01Size:250 mg

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CAS Number

2113900-93-7

MDL Number

MFCD34824138

Purity

97%

Smiles

C1ccc (c (c1) Br) C (O) (CC (=O) OC) C

Chemical Information

Methyl 3-(2-bromophenyl)-3-hydroxybutanoate

CAS Number	2113900-93-7
PubChem CID	171366058
IUPAC Name	methyl 3-(2-bromophenyl)-3-hydroxybutanoate
Molecular Formula	C11H13BrO3
Molecular Weight	273.12
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	232

SMILES

CC(CC(=O)OC)(C1=CC=CC=C1Br)O

InChI

InChI=1S/C11H13BrO3/c1-11(14,7-10(13)15-2)8-5-3-4-6-9(8)12/h3-6,14H,7H2,1-2H3

InChIKey

OYFJZBFEEUPVMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2113900-93-7

CID: 171366058

Formula: C11H13BrO3

MW: 273.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.12
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	272.00481
Monoisotopic Mass	272.00481
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	232
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
OR1090566-01	Methyl 3- (3-bromophenyl) -3-hydroxybutanoate
OR1096657-01	Methyl 3- (4-bromophenyl) -3-hydroxybutanoate
OR1081592-01	Ethyl 3- (2-bromophenyl) -3-hydroxybutanoate
OR1100836-01	Ethyl 3- (3-bromophenyl) -3-hydroxybutanoate
OR1013819-01	Methyl 3-Hydroxybutanoate
OR96649-01	Methyl 2-hydroxybutanoate
OR28835-01	Methyl (R) -3-hydroxybutanoate
OR1001905-01	Methyl (S) -2-hydroxybutanoate
OR1044281-01	Methyl 4-chloro-3-hydroxybutanoate
PC1024775-01	Methyl 3- (4-fluorophenyl) -3-hydroxybutanoate

Catalog	Name
454970-01	Methyl 2-Hydroxybutanoate
LLC00751-01	Methyl 3- (2-fluorophenyl) -2-hydroxybutanoate
VLD12334	Methyl 2-amino-3-hydroxybutanoate hydrochloride
FM16092-01	(R) -Methyl 2-hydroxybutanoate
FM71684-01	(S) -Methyl-2-hydroxybutanoate
FDD47457-01	Methyl (2S,3R) -2- (ethylamino) -3-hydroxybutanoate
GTR19272327-01	Methyl 2-[ (3-formamido-2-hydroxyphenyl) formamido]-3-hydroxybutanoate
NYC57868-01	Methyl 2-{[ (tert-butoxy) carbonyl]amino}-3-hydroxybutanoate
JH366253	(2R,3S) -Methyl 2-amino-3-hydroxybutanoate hydrochloride
FCA22323-01	3- (2-Bromophenyl) -2-[ (2-bromophenyl) methyl]propanoic acid