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20464-90-8 | Phosphoramidic acid, bis(2-chloroethyl)-, bis(4-methoxyphenyl) ester (9CI)
CAS No: 20464-90-8 Catalog No: AG0029MZ MDL No:
Product Description
Catalog Number:
AG0029MZ
Chemical Name:
Phosphoramidic acid, bis(2-chloroethyl)-, bis(4-methoxyphenyl) ester (9CI)
CAS Number:
20464-90-8
Molecular Formula:
C18H22Cl2NO5P
Molecular Weight:
434.2507
IUPAC Name:
N-bis(4-methoxyphenoxy)phosphoryl-2-chloro-N-(2-chloroethyl)ethanamine
InChI:
InChI=1S/C18H22Cl2NO5P/c1-23-15-3-7-17(8-4-15)25-27(22,21(13-11-19)14-12-20)26-18-9-5-16(24-2)6-10-18/h3-10H,11-14H2,1-2H3
InChI Key:
BWLLTHWWMYXMRW-UHFFFAOYSA-N
SMILES:
ClCCN(P(=O)(Oc1ccc(cc1)OC)Oc1ccc(cc1)OC)CCCl
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.061g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.25g/mol
Monoisotopic Mass:
433.061g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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