[4-[4-(Phosphonomethyl)phenyl]phenyl]methylphosphonic acid - CAS 17919-31-2
Catalog: |
BB043450 |
Product Name: |
[4-[4-(Phosphonomethyl)phenyl]phenyl]methylphosphonic acid |
CAS: |
17919-31-2 |
Synonyms: |
SCHEMBL9407120; 4,4'-Bis(phosphonomethyl)biphenyl; 1,1'-Biphenylene-4,4'-bis(methylene)bis(phosphonicacid) |
IUPAC Name: | [4-[4-(phosphonomethyl)phenyl]phenyl]methylphosphonic acid |
Description: | [4-[4-(Phosphonomethyl)phenyl]phenyl]methylphosphonic acid (CAS# 17919-31-2 ) is a useful research chemical. |
Molecular Weight: | 342.22 |
Molecular Formula: | C14H16O6P2 |
Canonical SMILES: | C1=CC(=CC=C1CP(=O)(O)O)C2=CC=C(C=C2)CP(=O)(O)O |
InChI: | InChI=1S/C14H16O6P2/c15-21(16,17)9-11-1-5-13(6-2-11)14-7-3-12(4-8-14)10-22(18,19)20/h1-8H,9-10H2,(H2,15,16,17)(H2,18,19,20) |
InChI Key: | VNVGRAJTEPVPAX-UHFFFAOYSA-N |
Complexity: | 398 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 342.04221222 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 342.04221222 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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