P-[(3-Bromo-6-cyano-2-naphthalenyl)difluoromethyl]-phosphonic Acid - CAS 1042170-36-4
Catalog: |
BB072263 |
Product Name: |
P-[(3-Bromo-6-cyano-2-naphthalenyl)difluoromethyl]-phosphonic Acid |
CAS: |
1042170-36-4 |
Synonyms: |
P-[(3-bromo-6-cyano-2-naphthalenyl)difluoromethyl]-phosphonic acid; [(3-bromo-6-cyanonaphthalen-2-yl)-difluoromethyl]phosphonic acid |
IUPAC Name: | [(3-bromo-6-cyanonaphthalen-2-yl)-difluoromethyl]phosphonic acid |
Molecular Weight: | 362.06 |
Molecular Formula: | C12H7BrF2NO3P |
Canonical SMILES: | C1=CC2=CC(=C(C=C2C=C1C#N)Br)C(F)(F)P(=O)(O)O |
InChI: | InChI=1S/C12H7BrF2NO3P/c13-11-5-9-3-7(6-16)1-2-8(9)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19) |
InChI Key: | WUSVXOWRHCMDHI-UHFFFAOYSA-N |
Solubility: | Methanol, Water |
Appearance: | White Solid |
References: | PCT Int. Appl. (2008), WO 2008089581 A1 20080731.. |
Complexity: | 475 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.9315 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.9315 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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