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20464-69-1 | Phosphoramidic acid, bis(2-chloroethyl)-, 3-methoxyphenyl phenyl ester (9CI)
CAS No: 20464-69-1 Catalog No: AG0029N0 MDL No:
Product Description
Catalog Number:
AG0029N0
Chemical Name:
Phosphoramidic acid, bis(2-chloroethyl)-, 3-methoxyphenyl phenyl ester (9CI)
CAS Number:
20464-69-1
Molecular Formula:
C17H20Cl2NO4P
Molecular Weight:
404.2248
IUPAC Name:
2-chloro-N-(2-chloroethyl)-N-[(3-methoxyphenoxy)-phenoxyphosphoryl]ethanamine
InChI:
InChI=1S/C17H20Cl2NO4P/c1-22-16-8-5-9-17(14-16)24-25(21,20(12-10-18)13-11-19)23-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3
InChI Key:
IIZPXVMHIKFFMM-UHFFFAOYSA-N
SMILES:
ClCCN(P(=O)(Oc1ccccc1)Oc1cccc(c1)OC)CCCl
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.051g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.224g/mol
Monoisotopic Mass:
403.051g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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