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130727-16-1 | Carbamic acid, N-[1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester
CAS No: 130727-16-1 Catalog No: AG000UVO MDL No:
Product Description
Catalog Number:
AG000UVO
Chemical Name:
Carbamic acid, N-[1-(diphenoxyphosphinyl)butyl]-, phenylmethyl ester
CAS Number:
130727-16-1
Molecular Formula:
C24H26NO5P
Molecular Weight:
439.4407
IUPAC Name:
benzyl N-(1-diphenoxyphosphorylbutyl)carbamate
InChI:
InChI=1S/C24H26NO5P/c1-2-12-23(25-24(26)28-19-20-13-6-3-7-14-20)31(27,29-21-15-8-4-9-16-21)30-22-17-10-5-11-18-22/h3-11,13-18,23H,2,12,19H2,1H3,(H,25,26)
InChI Key:
UNYYGSNDHISNBR-UHFFFAOYSA-N
SMILES:
CCCC(P(=O)(Oc1ccccc1)Oc1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.155g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.448g/mol
Monoisotopic Mass:
439.155g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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