Methyl 2- (3-bromophenyl) -2- (diethoxyphosphoryl) acetate

CAT: 0926-WFC96745-01Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-WFC96745-01Size:50 mg

Selected

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

Quick Request Actions

CAS Number

1396967-45-5

MDL Number

MFCD11847989

Smiles

CCOP (=O) (C (C1=CC (=CC=C1) Br) C (=O) OC) OCC

Molecular Formula

C13H18BrO5P

Molecular Weight

365.16 g/mol

Controlled

Chemical Information

(Diethoxy-phosphoryl)-(3-bromo-phenyl)-acetic acid

CAS Number	1396967-45-5
PubChem CID	53401521
IUPAC Name	methyl 2-(3-bromophenyl)-2-diethoxyphosphorylacetate
Molecular Formula	C13H18BrO5P
Molecular Weight	365.16
XLogP	2.5
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	20
Formal Charge	0
Complexity	353

SMILES

CCOP(=O)(C(C1=CC(=CC=C1)Br)C(=O)OC)OCC

InChI

InChI=1S/C13H18BrO5P/c1-4-18-20(16,19-5-2)12(13(15)17-3)10-7-6-8-11(14)9-10/h6-9,12H,4-5H2,1-3H3

InChIKey

UUXJMHATVLWJSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1396967-45-5

CID: 53401521

Formula: C13H18BrO5P

MW: 365.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.16
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	364.00752
Monoisotopic Mass	364.00752
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	353
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
FM46201	Methyl 2- (3-bromophenyl) acetate
QJB70752-01	Methyl 2-[ (3-bromophenyl) sulfanyl]acetate
LAC76284-01	Methyl 2- (2-amino-3-bromophenyl) acetate
NGA33967-01	Methyl 2-bromo-2- (3-bromophenyl) acetate
PEA68469	Methyl cbz-amino (diethoxyphosphoryl) acetate
XWC66824-01	Methyl 2-{[ (3-bromophenyl) methyl]amino}acetate hydrochloride
YGC35894-01	Methyl 2- (3-bromophenyl) -2- (methylamino) acetate hydrochloride
NYB59600-01	Methyl (2R) -2-amino-2- (3-bromophenyl) acetate
TBA06397-01	Methyl 2-bromo-2- (2-bromophenyl) acetate
UYB40844-01	Methyl amino (2-bromophenyl) acetate hydrochloride

Catalog	Name
sc-263688A	Methyl Cbz-amino (diethoxyphosphoryl) acetate
OR11334	Methyl bromophenyl acetate
283727-01	Methyl 2- (3-bromophenyl) acetate
OR15214	Methyl (4-bromophenyl) acetate
sc-328863A	Methyl amino (3-bromophenyl) acetate hydrochloride
OR55201	Methyl 2- ((tert-butoxycarbonyl) amino) -2- (diethoxyphosphoryl) acetate
OR1060786-01	Methyl 2- (4- (benzyloxy) -3-bromophenyl) acetate
OR1064366-01	Methyl 2- (4-amino-3-bromophenyl) acetate
OR111453	Methyl (4-bromophenyl) (hydroxy) acetate
454713-01	Methyl 2- (2-Bromophenyl) acetate