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822520-90-1 | Phosphonic acid, [difluoro(6-formyl-5-hydroxy-2-naphthalenyl)methyl]-
CAS No: 822520-90-1 Catalog No: AG005GPW MDL No:
Product Description
Catalog Number:
AG005GPW
Chemical Name:
Phosphonic acid, [difluoro(6-formyl-5-hydroxy-2-naphthalenyl)methyl]-
CAS Number:
822520-90-1
Molecular Formula:
C12H9F2O5P
Molecular Weight:
302.1674
IUPAC Name:
[difluoro-(6-formyl-5-hydroxynaphthalen-2-yl)methyl]phosphonic acid
InChI:
InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)9-3-4-10-7(5-9)1-2-8(6-15)11(10)16/h1-6,16H,(H2,17,18,19)
InChI Key:
JIHZXJDVICVIDB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1O)ccc(c2)C(P(=O)(O)O)(F)F
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.016g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.17g/mol
Monoisotopic Mass:
302.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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