Ethyl 3- (3-bromophenyl) -3-hydroxypropanoate

CAT: 0127-OR1099720Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1099720Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

51699-41-3

MDL Number

MFCD16749037

Purity

97%

Smiles

C1 (cccc (c1) C (CC (=O) OCC) O) Br

Chemical Information

Ethyl 3-(3-bromophenyl)-3-hydroxypropanoate

CAS Number	51699-41-3
PubChem CID	12566303
IUPAC Name	ethyl 3-(3-bromophenyl)-3-hydroxypropanoate
Molecular Formula	C11H13BrO3
Molecular Weight	273.12
XLogP	2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	208

SMILES

CCOC(=O)CC(C1=CC(=CC=C1)Br)O

InChI

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

InChIKey

UTXUUSOFNXTNOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51699-41-3

CID: 12566303

Formula: C11H13BrO3

MW: 273.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.12
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	272.00481
Monoisotopic Mass	272.00481
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
OR1098465-01	Ethyl 3- (2-bromophenyl) -3-hydroxypropanoate
OR1095769-01	Ethyl 3- (4-bromophenyl) -3-hydroxypropanoate
OR1089392-01	Ethyl 3- (4- (benzyloxy) -3-bromophenyl) -3-hydroxypropanoate
OR1089226-01	Ethyl 3- (5- (benzyloxy) -2-bromophenyl) -3-hydroxypropanoate
OR1013184-01	Ethyl 3-Hydroxypropanoate
OR1049003-01	Methyl 3- (4-bromophenyl) -3-hydroxypropanoate
OR1082349-01	Methyl 3- (2-bromophenyl) -3-hydroxypropanoate
OR78821	Ethyl 3-cyclopropyl-3-hydroxypropanoate
PC1023039-01	Ethyl 3- (3-fluorophenyl) -3-hydroxypropanoate
OR1092624-01	Ethyl 3- (3-chlorophenyl) -3-hydroxypropanoate

Catalog	Name
BCA69941-01	Ethyl 3- (3-bromophenyl) -3-hydroxypropanoate
VCA20016	Ethyl 3- (4-bromophenyl) -3-hydroxypropanoate
MLC32913-01	Ethyl 3- (3-bromophenyl) -2-hydroxypropanoate
449111-01	Ethyl 3-hydroxypropanoate
XCA71512-01	Ethyl 3-cyclopropyl-3-hydroxypropanoate
BAA99392-01	Ethyl 2-fluoro-3-hydroxypropanoate
ZZB38024-01	Ethyl 3- (3,5-dichlorophenyl) -3-hydroxypropanoate
XZB14972-01	Ethyl 3- (3,4-difluorophenyl) -3-hydroxypropanoate
SDA23423-01	Ethyl 3-bromo-2-hydroxypropanoate
DNA39603-01	Ethyl 3-[4- (benzyloxy) phenyl]-3-hydroxypropanoate