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7148-79-0 | Phosphorochloridicacid, bis[4,5-dihydro-1-(phenylmethyl)-1H-imidazol-2-yl] ester (9CI)
CAS No: 7148-79-0 Catalog No: AG005HPK MDL No:
Product Description
Catalog Number:
AG005HPK
Chemical Name:
Phosphorochloridicacid, bis[4,5-dihydro-1-(phenylmethyl)-1H-imidazol-2-yl] ester (9CI)
CAS Number:
7148-79-0
Molecular Formula:
C20H22ClN4O3P
Molecular Weight:
432.8404
IUPAC Name:
1-benzyl-2-[(1-benzyl-4,5-dihydroimidazol-2-yl)oxy-chlorophosphoryl]oxy-4,5-dihydroimidazole
InChI:
InChI=1S/C20H22ClN4O3P/c21-29(26,27-19-22-11-13-24(19)15-17-7-3-1-4-8-17)28-20-23-12-14-25(20)16-18-9-5-2-6-10-18/h1-10H,11-16H2
InChI Key:
MMBRATGGMDFQKE-UHFFFAOYSA-N
SMILES:
ClP(=O)(OC1=NCCN1Cc1ccccc1)OC1=NCCN1Cc1ccccc1
NSC Number:
47113
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.112g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.845g/mol
Monoisotopic Mass:
432.112g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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