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200698-20-0 | Pentanedioic acid, 2-[[(4-fluorophenyl)hydroxyphosphinyl]methyl]-
CAS No: 200698-20-0 Catalog No: AG002CWI MDL No:
Product Description
Catalog Number:
AG002CWI
Chemical Name:
Pentanedioic acid, 2-[[(4-fluorophenyl)hydroxyphosphinyl]methyl]-
CAS Number:
200698-20-0
Molecular Formula:
C12H14FO6P
Molecular Weight:
304.2081
IUPAC Name:
2-[[(4-fluorophenyl)-hydroxyphosphoryl]methyl]pentanedioic acid
InChI:
InChI=1S/C12H14FO6P/c13-9-2-4-10(5-3-9)20(18,19)7-8(12(16)17)1-6-11(14)15/h2-5,8H,1,6-7H2,(H,14,15)(H,16,17)(H,18,19)
InChI Key:
JCNLQFPTNJDDBA-UHFFFAOYSA-N
SMILES:
OC(=O)C(CP(=O)(c1ccc(cc1)F)O)CCC(=O)O
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.21g/mol
Monoisotopic Mass:
304.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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