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Isopropyl Phenyl Phosphate

CAT: 0572-TRC-I873050-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I873050-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
46355-07-1
Synonyms
Mono(1-methylethyl) Phosphoric Acid Monophenyl Ester
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3265; Packing Group: II
Smiles
O=P(OC(C)C)(O)OC1=CC=CC=C1
Molecular Formula
C9H13O4P
Molecular Weight
216.17
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenyl propan-2-yl hydrogen phosphate
CAS Number46355-07-1
PubChem CID93246
IUPAC Namephenyl propan-2-yl hydrogen phosphate
Molecular FormulaC9H13O4P
Molecular Weight216.17
XLogP1.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
CC(C)OP(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C9H13O4P/c1-8(2)12-14(10,11)13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,10,11)
InChIKey
WRXFONORSZHETC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenyl propan-2-yl hydrogen phosphate
CAS: 46355-07-1
CID: 93246
Formula: C9H13O4P
MW: 216.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.17
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass216.05514589
Monoisotopic Mass216.05514589
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
452684-01Isopropyl Phenyl Phosphate
452686-01Isopropyl Phenyl Phosphate-d7
452685-01Isopropyl Phenyl Phosphate-13C3
sc-5036703,5-Bis (isopropyl) phenyl 4-Isopropylphenyl Phenyl Phosphate
sc-5036683,4-Bis (isopropyl) phenyl Diphenyl Phosphate
sc-5036693,5-Bis (isopropyl) phenyl Diphenyl Phosphate
RG-E141745-01Isopropyl Phosphate
RG-I191523-01Isopropyl Dihydrogen Phosphate
OR1061208-01Isopropyl diphenyl phosphate
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