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100993-68-8 | Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, 3-oxo-3-phenylpropyl ester
CAS No: 100993-68-8 Catalog No: AG0003ER MDL No:
Product Description
Catalog Number:
AG0003ER
Chemical Name:
Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, 3-oxo-3-phenylpropyl ester
CAS Number:
100993-68-8
Molecular Formula:
C13H19Cl2N2O3P
Molecular Weight:
353.1813
IUPAC Name:
3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxy-1-phenylpropan-1-one
InChI:
InChI=1S/C13H19Cl2N2O3P/c14-7-9-17(10-8-15)21(16,19)20-11-6-13(18)12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,16,19)
InChI Key:
ZSQIOJOQXJELQB-UHFFFAOYSA-N
SMILES:
ClCCN(P(=O)(OCCC(=O)c1ccccc1)N)CCCl
NSC Number:
369936
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.18g/mol
Monoisotopic Mass:
352.051g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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