2-Naphtylmethylphosphonic acid - CAS 16672-84-7
Catalog: |
BB043435 |
Product Name: |
2-Naphtylmethylphosphonic acid |
CAS: |
16672-84-7 |
Synonyms: |
Phosphonic acid, (2-naphthalenylmethyl)- (9CI); Phosphonic acid, (2-naphthalenylmethyl)-; SCHEMBL915502; CTK0A8824; DTXSID70395172; ZINC26977583; AKOS01734502 |
IUPAC Name: | naphthalen-2-ylmethylphosphonic acid |
Description: | 2-Naphtylmethylphosphonic acid (CAS# 16672-84-7 ) is a useful research chemical. |
Molecular Weight: | 222.18 |
Molecular Formula: | C11H11O3P |
Canonical SMILES: | C1=CC=C2C=C(C=CC2=C1)CP(=O)(O)O |
InChI: | InChI=1S/C11H11O3P/c12-15(13,14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,12,13,14) |
InChI Key: | HELZKSLXGDCKJK-UHFFFAOYSA-N |
Purity: | 98 % (1H+31P NMR) |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.04458121 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.04458121 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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