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29619-90-7 | Phosphonic acid, [2-[bis(2-chloroethyl)amino]ethyl]-, bis(2-chloroethyl) ester, hydrochloride (8CI,9CI)
CAS No: 29619-90-7 Catalog No: AG002YWL MDL No:
Product Description
Catalog Number:
AG002YWL
Chemical Name:
Phosphonic acid, [2-[bis(2-chloroethyl)amino]ethyl]-, bis(2-chloroethyl) ester, hydrochloride (8CI,9CI)
CAS Number:
29619-90-7
Molecular Formula:
C10H21Cl5NO3P
Molecular Weight:
411.5174
IUPAC Name:
2-[bis(2-chloroethoxy)phosphoryl]-N,N-bis(2-chloroethyl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H20Cl4NO3P.ClH/c11-1-5-15(6-2-12)7-10-19(16,17-8-3-13)18-9-4-14;/h1-10H2;1H
InChI Key:
PPEPMXMKXMNMBX-UHFFFAOYSA-N
SMILES:
ClCCOP(=O)(CCN(CCCl)CCCl)OCCCl.Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.967g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.506g/mol
Monoisotopic Mass:
408.97g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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