Diethyl (chlorocarbonyl) phosphonate

CAT: 0926-IGA42159-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-IGA42159-01Size:50 mg

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CAS Number

158421-59-1

MDL Number

MFCD25959562

Smiles

CCOP (=O) (C (=O) Cl) OCC

Molecular Formula

C5H10ClO4P

Molecular Weight

200.56 g/mol

Controlled

Chemical Information

Diethyl (chlorocarbonyl)phosphonate

CAS Number	158421-59-1
PubChem CID	21765684
IUPAC Name	diethoxyphosphorylformyl chloride
Molecular Formula	C5H10ClO4P
Molecular Weight	200.56
XLogP	1
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	171

SMILES

CCOP(=O)(C(=O)Cl)OCC

InChI

InChI=1S/C5H10ClO4P/c1-3-9-11(8,5(6)7)10-4-2/h3-4H2,1-2H3

InChIKey

UVASJLPRXBXQMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 158421-59-1

CID: 21765684

Formula: C5H10ClO4P

MW: 200.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.56
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	200.0005235
Monoisotopic Mass	200.0005235
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	171
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
CDA67910-01	Diethyl (carbamothioylmethyl) phosphonate
DBA46001	Diethyl (Methylthiomethyl) phosphonate
QBA13711	Diethyl (methylsulfonylmethyl) phosphonate
FD30094-01	Diethyl (bromodifluoromethyl) phosphonate
DAA16763	Diethyl (Chloromethyl) phosphonate
PBA99740-01	Diethyl (2-hydroxyethyl) phosphonate
BAA08041-01	Diethyl (2-oxocyclohexyl) phosphonate
DAA98695-01	Diethyl (3-oxopropyl) phosphonate
VAA03044-01	Diethyl (oxiran-2-yl) phosphonate
JFA15079-01	Diethyl (azetidin-3-yl) phosphonate

Catalog	Name
TYD-00358	Diethyl (cyanomethyl) phosphonate
273044-01	Diethyl (bromodifluoromethyl) phosphonate
sc-294317	Diethyl (Methoxymethyl) phosphonate
sc-234632	Diethyl (ethylthiomethyl) phosphonate
sc-255095	Diethyl cyclopropylmethyl phosphonate
sc-234633	Diethyl (hydroxymethyl) phosphonate
OR10723-01	Diethyl (methylthiomethyl) phosphonate
274461-01	Diethyl (Trichloromethyl) phosphonate
OR1027766-01	Diethyl (Bromomethyl) Phosphonate
OR1079369-01	Diethyl (Ethoxymethyl) phosphonate