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184246-51-3 | Thiazole, 4-[(diphenylphosphinyl)methyl]-2-methyl-
CAS No: 184246-51-3 Catalog No: AG0075PT MDL No:
Product Description
Catalog Number:
AG0075PT
Chemical Name:
Thiazole, 4-[(diphenylphosphinyl)methyl]-2-methyl-
CAS Number:
184246-51-3
Molecular Formula:
C17H16NOPS
Molecular Weight:
313.3538
IUPAC Name:
4-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole
InChI:
InChI=1S/C17H16NOPS/c1-14-18-15(13-21-14)12-20(19,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,13H,12H2,1H3
InChI Key:
RLNDTCUPCZWEQN-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)CP(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.355g/mol
Monoisotopic Mass:
313.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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