Isobutyl phenylphosphinate

CAT: 0127-OR1073340-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1073340-01Size:25 mg

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CAS Number

13336-52-2

Purity

95%

Smiles

O=P(OCC(C)C)C=1C=CC=CC1

Chemical Information

Phosphinic acid, phenyl-, isobutyl ester

CAS Number	13336-52-2
PubChem CID	6327206
IUPAC Name	2-methylpropoxy-oxo-phenylphosphanium
Molecular Formula	C10H14O2P+
Molecular Weight	197.19
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	1
Complexity	162

SMILES

CC(C)CO[P+](=O)C1=CC=CC=C1

InChI

InChI=1S/C10H14O2P/c1-9(2)8-12-13(11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1

InChIKey

YPLRDCTYJVQRBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13336-52-2

CID: 6327206

Formula: C10H14O2P+

MW: 197.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.19
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	197.07314168
Monoisotopic Mass	197.07314168
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	1
Complexity	162
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
OR1058766-01	Isopropyl phenylphosphinate
OR1015053-01	Sodium Phenylphosphinate
OR1013258-01	Ethyl phenylphosphinate
OR1029339-01	Isobutyl Valerate
OR1078843-01	Isobutyl Mercaptan
BUP06962-01	Isobutyl decanoate
OR28903-01	Isobutyl isothiocyanate
OR1013587	Isobutyl hexanoate
OR1079305-01	Isobutyl Propionate
OR1076782-01	Isobutyl Nitrate

Catalog	Name
FE64836-01	Ethyl phenylphosphinate
84434-11-7	Ethyl (2,4,6-trimethylbenzoyl) phenylphosphinate
3123605	Methyl isobutyl ketone (Isobutyl methyl ketone)
RAA15653-01	Isobutyl methanesulfonate
AAA10213-01	Isobutyl Phenylacetate
T65259-01	Isobutyl cinnamate
T21223-01	Isobutyl decanoate
164518	Isobutyl Alcohol
452526-01	Isobutyl Bromoacetate
RG-A261009-01	Isobutyl Acrylate