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82475-49-8 | Phosphoramidic acid,bis(2-chloroethyl)-, dimethyl ester (9CI)
CAS No: 82475-49-8 Catalog No: AG0059JY MDL No:
Product Description
Catalog Number:
AG0059JY
Chemical Name:
Phosphoramidic acid,bis(2-chloroethyl)-, dimethyl ester (9CI)
CAS Number:
82475-49-8
Molecular Formula:
C6H14Cl2NO3P
Molecular Weight:
250.0600
IUPAC Name:
2-chloro-N-(2-chloroethyl)-N-dimethoxyphosphorylethanamine
InChI:
InChI=1S/C6H14Cl2NO3P/c1-11-13(10,12-2)9(5-3-7)6-4-8/h3-6H2,1-2H3
InChI Key:
BRRKKAHIRNMUTP-UHFFFAOYSA-N
SMILES:
ClCCN(P(=O)(OC)OC)CCCl
NSC Number:
135120
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.056g/mol
Monoisotopic Mass:
249.009g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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