Dioctyl phenylphosphonate

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CAS Number

1754-47-8

Purity

95%

Smiles

CCCCCCCCOP(=O)(OCCCCCCCC)c1ccccc1

Chemical Information

Dioctyl phenylphosphonate

CAS Number	1754-47-8
PubChem CID	15641
IUPAC Name	dioctoxyphosphorylbenzene
Molecular Formula	C22H39O3P
Molecular Weight	382.5
XLogP	7.9
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Heavy Atom Count	26
Formal Charge	0
Complexity	331

SMILES

CCCCCCCCOP(=O)(C1=CC=CC=C1)OCCCCCCCC

InChI

InChI=1S/C22H39O3P/c1-3-5-7-9-11-16-20-24-26(23,22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3

InChIKey

HAKMAMKAFTZXOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1754-47-8

CID: 15641

Formula: C22H39O3P

MW: 382.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	382.5
XLogP3	7.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	17
Exact Mass	382.26368210
Monoisotopic Mass	382.26368210
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	331
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
OR1012875-01	Diethyl Phenylphosphonate
OR1022032	Diallyl phenylphosphonate
OR1015054-01	Sodium Phenylphosphonate
OR1029438-01	Diphenyl Phenylphosphonate
IN12491-01	Zinc (II) phenylphosphonate
OR1012973-01	Dioctyl Terephthalate
OR1012972-01	Dioctyl sebacate
OR22269-01	Dioctyl malonate
OR74956-01	Dioctyl maleate
OR1043369-01	Disulfide, dioctyl

Catalog	Name
447290-01	Dioctyl Phenylphosphonate
sc-487966	Dimethyl Phenylphosphonate
sc-268908	Diethyl phenylphosphonate
HY-120798-01	4-Nitrophenyl phenylphosphonate
163878	Dioctyl Terepthalate
RG-A262023-01	Dioctyl Isophthalate
RG-A260493-01	Dioctyl Sebacate
13615-15	Dioctyl Phthalate
AR-B06643-01	Dioctyl Terephthalate
BAA68031-01	Dioctyl carbonate