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173547-45-0 | 2H-1,3,2-Oxazaphosphorin-4,5-d2-2-amine, N,N-bis(2-chloroethyl)tetrahydro-4,5-d2-, 2-oxide (9CI)
CAS No: 173547-45-0 Catalog No: AG001YZT MDL No:
Product Description
Catalog Number:
AG001YZT
Chemical Name:
2H-1,3,2-Oxazaphosphorin-4,5-d2-2-amine, N,N-bis(2-chloroethyl)tetrahydro-4,5-d2-, 2-oxide (9CI)
CAS Number:
173547-45-0
Molecular Formula:
C7H11Cl2D4N2O2P
Molecular Weight:
265.1106
IUPAC Name:
N,N-bis(2-chloroethyl)-4,4,6,6-tetradeuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
InChI:
InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/i4D2,7D2
InChI Key:
CMSMOCZEIVJLDB-CTVJKLEYSA-N
SMILES:
ClCCN(P1(=O)NC([2H])([2H])CC(O1)([2H])[2H])CCCl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
265.107g/mol
Monoisotopic Mass:
264.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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