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78219-91-7 | 2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(4-chlorobutyl)tetrahydro-, 2-oxide
CAS No: 78219-91-7 Catalog No: AG0054OZ MDL No:
Product Description
Catalog Number:
AG0054OZ
Chemical Name:
2H-1,3,2-Oxazaphosphorin-2-amine,N,N-bis(4-chlorobutyl)tetrahydro-, 2-oxide
CAS Number:
78219-91-7
Molecular Formula:
C11H23Cl2N2O2P
Molecular Weight:
317.1923
IUPAC Name:
N,N-bis(4-chlorobutyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
InChI:
InChI=1S/C11H23Cl2N2O2P/c12-6-1-3-9-15(10-4-2-7-13)18(16)14-8-5-11-17-18/h1-11H2,(H,14,16)
InChI Key:
QVXWEAMZPQGXMO-UHFFFAOYSA-N
SMILES:
ClCCCCN(P1(=O)NCCCO1)CCCCCl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.191g/mol
Monoisotopic Mass:
316.087g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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