Ethyl 3- (3-bromophenyl) propanoate

CAT: 0127-OR1059781-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059781-01Size:100 mg

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CAS Number

40640-97-9

MDL Number

MFCD09028773

Purity

98%

Smiles

O=C(OCC)CCC1=CC=CC(Br)=C1

Chemical Information

Ethyl 3-(3-bromophenyl)propanoate

CAS Number	40640-97-9
PubChem CID	22503179
IUPAC Name	ethyl 3-(3-bromophenyl)propanoate
Molecular Formula	C11H13BrO2
Molecular Weight	257.12
XLogP	3.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	182

SMILES

CCOC(=O)CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C11H13BrO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3

InChIKey

XIWUTAAOMFFHTR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40640-97-9

CID: 22503179

Formula: C11H13BrO2

MW: 257.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.12
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	256.00989
Monoisotopic Mass	256.00989
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	182
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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
OR1047331-01	Ethyl 3-amino-3- (3-bromophenyl) propanoate
OR1037675-01	Ethyl 3-amino-3- (3-bromophenyl) propanoate oxalate
OR111502-01	Ethyl 3-amino-3- (3-bromophenyl) propanoate hydrochloride
OR1038945-01	Ethyl 3-amino-3- (2-bromophenyl) propanoate, HCl
OR111511-01	Ethyl 3- (3-bromophenyl) -3-[ (tert-butoxycarbonyl) amino]propanoate
OR1039360-01	Ethyl 2- (4-bromophenyl) propanoate
OR95820-01	Methyl 3- (3-bromophenyl) propanoate
OR76847-01	(S) -Ethyl 3- (3-bromophenyl) -2- ((tert-butoxycarbonyl) amino) propanoate

Catalog	Name
HY-W011838-01	Ethyl 3- (4-bromophenyl) propanoate
448738-01	Ethyl 2- (3-bromophenyl) propanoate
ALA82631-01	Ethyl 3-amino-3- (3-bromophenyl) propanoate
JND08650-01	Ethyl 3-amino-3- (3-bromophenyl) propanoate hydrochloride
CVA84192-01	Ethyl 3-amino-3- (4-bromophenyl) propanoate hydrochloride
AEA12911-01	Ethyl 2-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
449041-01	Ethyl 3-amino-3-[4- (benzyloxy) -3-bromophenyl]propanoate, HCl
sc-327296	Ethyl 3- (propylamino) propanoate