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797-70-6 | Tri-p-tolylphosphine oxide
CAS No: 797-70-6 Catalog No: AG003V7M MDL No:MFCD00059321
Product Description
Catalog Number:
AG003V7M
Chemical Name:
Tri-p-tolylphosphine oxide
CAS Number:
797-70-6
Molecular Formula:
C21H21OP
Molecular Weight:
320.3646
MDL Number:
MFCD00059321
IUPAC Name:
1-bis(4-methylphenyl)phosphoryl-4-methylbenzene
InChI:
InChI=1S/C21H21OP/c1-16-4-10-19(11-5-16)23(22,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChI Key:
SPKBYIYIZQARNX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)P(=O)(c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.372g/mol
Monoisotopic Mass:
320.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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