Deethylphosphamidon

CAT: 0024-sc-499528Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-499528Size:10 mg

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CAS Number

13171-22-7

Chemical Information

Desethylphosphamidon

CAS Number	13171-22-7
PubChem CID	71434971
IUPAC Name	[3-chloro-4-(ethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
Molecular Formula	C8H15ClNO5P
Molecular Weight	271.63
XLogP	0.8
Topological Polar Surface Area	73.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	322

SMILES

CCNC(=O)C(=C(C)OP(=O)(OC)OC)Cl

InChI

InChI=1S/C8H15ClNO5P/c1-5-10-8(11)7(9)6(2)15-16(12,13-3)14-4/h5H2,1-4H3,(H,10,11)

InChIKey

IWYQSQKKOOZLFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13171-22-7

CID: 71434971

Formula: C8H15ClNO5P

MW: 271.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.63
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	271.0376373
Monoisotopic Mass	271.0376373
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CS-T-14717	Deethylphosphamidon