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87992-79-8 | Phosphorimidic acid, (dibutoxyphosphinyl)-, dibutyl phenyl ester
CAS No: 87992-79-8 Catalog No: AG004L5S MDL No:
Product Description
Catalog Number:
AG004L5S
Chemical Name:
Phosphorimidic acid, (dibutoxyphosphinyl)-, dibutyl phenyl ester
CAS Number:
87992-79-8
Molecular Formula:
C22H41NO6P2
Molecular Weight:
477.5116
IUPAC Name:
dibutoxy-dibutoxyphosphorylimino-phenoxy-λ5-phosphane
InChI:
InChI=1S/C22H41NO6P2/c1-5-9-18-25-30(24,26-19-10-6-2)23-31(27-20-11-7-3,28-21-12-8-4)29-22-16-14-13-15-17-22/h13-17H,5-12,18-21H2,1-4H3
InChI Key:
JNAXTTLRZADCPS-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(N=P(Oc1ccccc1)(OCCCC)OCCCC)OCCCC
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.241g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.519g/mol
Monoisotopic Mass:
477.241g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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