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862970-69-2

862970-69-2 | 5H-Benzo[b]phosphindole, 5-(2,4,6-trimethylbenzoyl)-, 5-oxide

CAS No: 862970-69-2 Catalog No: AG004JGJ MDL No:

Product Description

Catalog Number:
AG004JGJ
Chemical Name:
5H-Benzo[b]phosphindole, 5-(2,4,6-trimethylbenzoyl)-, 5-oxide
CAS Number:
862970-69-2
Molecular Formula:
C22H19O2P
Molecular Weight:
346.3588
IUPAC Name:
(5-oxobenzo[b]phosphindol-5-yl)-(2,4,6-trimethylphenyl)methanone
InChI:
InChI=1S/C22H19O2P/c1-14-12-15(2)21(16(3)13-14)22(23)25(24)19-10-6-4-8-17(19)18-9-5-7-11-20(18)25/h4-13H,1-3H3
InChI Key:
XMPUTRWMLMVLNK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C(=O)P1(=O)c2ccccc2c2c1cccc2

Properties

Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.112g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.366g/mol
Monoisotopic Mass:
346.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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