Pyrrolidine-2-phosphonic acid phenyl mono ester - CAS 99305-82-5
Catalog: |
BB043872 |
Product Name: |
Pyrrolidine-2-phosphonic acid phenyl mono ester |
CAS: |
99305-82-5 |
Synonyms: |
SCHEMBL459085; BBL103823; STL557633; Phosphonic acid, 2-pyrrolidinyl-, monophenyl ester (9CI) |
IUPAC Name: | phenoxy(pyrrolidin-2-yl)phosphinic acid |
Description: | Pyrrolidine-2-phosphonic acid phenyl mono ester (CAS# 99305-82-5 ) is a useful research chemical. |
Molecular Weight: | 227.20 |
Molecular Formula: | C10H14NO3P |
Canonical SMILES: | C1CC(NC1)P(=O)(O)OC2=CC=CC=C2 |
InChI: | InChI=1S/C10H14NO3P/c12-15(13,10-7-4-8-11-10)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,12,13) |
InChI Key: | ZJSSCIORWSJOFW-UHFFFAOYSA-N |
Purity: | 95 % |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.07113031 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.07113031 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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