Methyl 3-[ (3-bromophenyl) methoxy]propanoate

CAT: 0926-YLC23139-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-YLC23139-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

1548231-39-5

MDL Number

MFCD24310791

Smiles

COC (=O) CCOCC1=CC (=CC=C1) Br

Molecular Formula

C11H13BrO3

Molecular Weight

273.12 g/mol

Controlled

Chemical Information

Methyl 3-((3-bromophenyl)methoxy)propanoate

CAS Number	1548231-39-5
PubChem CID	82827546
IUPAC Name	methyl 3-[(3-bromophenyl)methoxy]propanoate
Molecular Formula	C11H13BrO3
Molecular Weight	273.12
XLogP	2.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	196

SMILES

COC(=O)CCOCC1=CC(=CC=C1)Br

InChI

InChI=1S/C11H13BrO3/c1-14-11(13)5-6-15-8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3

InChIKey

LSSNCPKCYILMBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1548231-39-5

CID: 82827546

Formula: C11H13BrO3

MW: 273.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.12
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	272.00481
Monoisotopic Mass	272.00481
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	196
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
DXC58590-01	Methyl 3-{[ (3-bromophenyl) methyl]amino}propanoate hydrochloride
VIB95874-01	Methyl (3R) -3-amino-3- (3-bromophenyl) propanoate
XXB82507-01	Methyl 3-amino-3- (3-bromophenyl) propanoate hydrochloride
AAA10571-01	Methyl 3-[ (3-methoxy-3-oxopropyl) (methyl) amino]propanoate
IXB58139-01	Methyl 2-amino-2- (3-bromophenyl) propanoate
RFC37945-01	Methyl (3S) -3-amino-3- (3-bromophenyl) propanoate hydrochloride
VIB90900-01	Methyl (3R) -3-amino-3- (3-bromophenyl) propanoate hydrochloride
GAA22161-01	Methyl 3-[3- (3-methoxy-3-oxopropyl) phenyl]propanoate
VIB90898-01	Methyl (3R) -3-amino-3- (4-bromophenyl) propanoate hydrochloride
ZIB58652-01	Methyl 3- (4-methoxy-2-methylphenyl) propanoate

Catalog	Name
OR95820-01	Methyl 3- (3-bromophenyl) propanoate
OR72243-01	Methyl 3- (4-bromophenyl) propanoate
OR76350-01	Methyl 2- (3-bromophenyl) propanoate
sc-328533	Methyl 3-amino-3- (4-bromophenyl) propanoate
OR85992-01	Methyl 2- (4-bromophenyl) propanoate
OR1103118-01	Methyl 2-amino-2- (3-bromophenyl) propanoate
PC5511	Methyl 3-methoxy-2- (trifluoromethyl) propanoate
OR1050973-01	Methyl 3-amino-3- (4-bromophenyl) propanoate hydrochloride
OR81798-01	(R) -Methyl 3-amino-3- (3-bromophenyl) propanoate hydrochloride
OR1069442-01	(S) -Methyl 3-amino-3- (3-bromophenyl) propanoate hydrochloride