Ethyl 2- (4-bromophenyl) propanoate

CAT: 0127-OR1039360-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1039360-01Size:1 g

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CAS Number

111914-79-5

MDL Number

MFCD18908972

Purity

97%

Smiles

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

Chemical Information

Ethyl 2-(4-bromophenyl)propanoate

CAS Number	111914-79-5
PubChem CID	13840376
IUPAC Name	ethyl 2-(4-bromophenyl)propanoate
Molecular Formula	C11H13BrO2
Molecular Weight	257.12
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C11H13BrO2/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3

InChIKey

WHNBIRCJWQMENU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111914-79-5

CID: 13840376

Formula: C11H13BrO2

MW: 257.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.12
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	256.00989
Monoisotopic Mass	256.00989
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186
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
OR80374-01	Ethyl 3- (4-bromophenyl) propanoate
OR80394-01	Ethyl 3- (2-bromophenyl) propanoate
OR85992-01	Methyl 2- (4-bromophenyl) propanoate
OR1059781-01	Ethyl 3- (3-bromophenyl) propanoate
OR1082010-01	Ethyl 3- (4-bromophenyl) -2-propynoate
OR1038945-01	Ethyl 3-amino-3- (2-bromophenyl) propanoate, HCl
OR1053316-01	Ethyl 2- (4-hydroxyphenoxy) propanoate
OR61054-01	Ethyl 2- (4-isobutylphenyl) propanoate
OR72243-01	Methyl 3- (4-bromophenyl) propanoate
OR1047331-01	Ethyl 3-amino-3- (3-bromophenyl) propanoate

Catalog	Name
HY-W011838-01	Ethyl 3- (4-bromophenyl) propanoate
448738-01	Ethyl 2- (3-bromophenyl) propanoate
AEA12911-01	Ethyl 2-amino-3- (4-bromophenyl) propanoate hydrochloride
CVA84192-01	Ethyl 3-amino-3- (4-bromophenyl) propanoate hydrochloride
EEC94098-01	Ethyl (3S) -3-amino-3- (4-bromophenyl) propanoate hydrochloride
EEC94097-01	Ethyl (3R) -3-amino-3- (4-bromophenyl) propanoate hydrochloride
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