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17773-94-3 | Phosphoramidic acid, bis(2-chloroethyl)-, 2,3-dihydroxypropyl phenyl ester (8CI,9CI)
CAS No: 17773-94-3 Catalog No: AG0025HN MDL No:
Product Description
Catalog Number:
AG0025HN
Chemical Name:
Phosphoramidic acid, bis(2-chloroethyl)-, 2,3-dihydroxypropyl phenyl ester (8CI,9CI)
CAS Number:
17773-94-3
Molecular Formula:
C13H20Cl2NO5P
Molecular Weight:
372.1814
IUPAC Name:
3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxypropane-1,2-diol
InChI:
InChI=1S/C13H20Cl2NO5P/c14-6-8-16(9-7-15)22(19,20-11-12(18)10-17)21-13-4-2-1-3-5-13/h1-5,12,17-18H,6-11H2
InChI Key:
HBYCFRYSXHQVKA-UHFFFAOYSA-N
SMILES:
ClCCN(P(=O)(Oc1ccccc1)OCC(CO)O)CCCl
NSC Number:
128856
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.046g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.179g/mol
Monoisotopic Mass:
371.046g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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