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2622-08-4 | Phosphorous acid, tris(2-methylphenyl) ester
CAS No: 2622-08-4 Catalog No: AG002SBN MDL No:MFCD00014911
Product Description
Catalog Number:
AG002SBN
Chemical Name:
Phosphorous acid, tris(2-methylphenyl) ester
CAS Number:
2622-08-4
Molecular Formula:
C21H21O3P
Molecular Weight:
352.3634
MDL Number:
MFCD00014911
IUPAC Name:
tris(2-methylphenyl) phosphite
InChI:
InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChI Key:
BKHZQJRTFNFCTG-UHFFFAOYSA-N
SMILES:
Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
EC Number:
220-068-7
UNII:
80ZL69270G
RTECS Number:
TH1050000
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.123g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.37g/mol
Monoisotopic Mass:
352.123g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| cis-Dichloridobis[tris-(2-methyl-phen-oxy)phosphane-κP]palladium(II). | Acta crystallographica. Section E, Structure reports online 20120301 |
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