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Home > Imidazoles > 473659-21-1
473659-21-1 | DIETHYL (1-TRITYL-1H-IMIDAZOL-4-YL)METHYLPHOSPHONATE
CAS No: 473659-21-1 Catalog No: AG00DGG5 MDL No:MFCD06660114
Product Description
Catalog Number:
AG00DGG5
Chemical Name:
DIETHYL (1-TRITYL-1H-IMIDAZOL-4-YL)METHYLPHOSPHONATE
CAS Number:
473659-21-1
Molecular Formula:
C27H29N2O3P
Molecular Weight:
460.5045
MDL Number:
MFCD06660114
IUPAC Name:
4-(diethoxyphosphorylmethyl)-1-tritylimidazole
InChI:
InChI=1S/C27H29N2O3P/c1-3-31-33(30,32-4-2)21-26-20-29(22-28-26)27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-20,22H,3-4,21H2,1-2H3
InChI Key:
FNSMDCRPGWSMDB-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.192g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.514g/mol
Monoisotopic Mass:
460.192g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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