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89822-81-1 | Phosphonic acid, [(2,4-diaminophenyl)methyl]-, bis(2-chloroethyl) ester
CAS No: 89822-81-1 Catalog No: AG003XMQ MDL No:
Product Description
Catalog Number:
AG003XMQ
Chemical Name:
Phosphonic acid, [(2,4-diaminophenyl)methyl]-, bis(2-chloroethyl) ester
CAS Number:
89822-81-1
Molecular Formula:
C11H17Cl2N2O3P
Molecular Weight:
327.1440
IUPAC Name:
4-[bis(2-chloroethoxy)phosphorylmethyl]benzene-1,3-diamine
InChI:
InChI=1S/C11H17Cl2N2O3P/c12-3-5-17-19(16,18-6-4-13)8-9-1-2-10(14)7-11(9)15/h1-2,7H,3-6,8,14-15H2
InChI Key:
FZFSTUHVAQOGFR-UHFFFAOYSA-N
SMILES:
ClCCOP(=O)(Cc1ccc(cc1N)N)OCCCl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.142g/mol
Monoisotopic Mass:
326.035g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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