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23459-82-7 | Diphosphonic acid, bis(2-chloroethyl)- (8CI,9CI)
CAS No: 23459-82-7 Catalog No: AG002NB1 MDL No:
Product Description
Catalog Number:
AG002NB1
Chemical Name:
Diphosphonic acid, bis(2-chloroethyl)- (8CI,9CI)
CAS Number:
23459-82-7
Molecular Formula:
C4H10Cl2O5P2
Molecular Weight:
270.9727
IUPAC Name:
2-chloroethyl-[2-chloroethyl(hydroxy)phosphoryl]oxyphosphinic acid
InChI:
InChI=1S/C4H10Cl2O5P2/c5-1-3-12(7,8)11-13(9,10)4-2-6/h1-4H2,(H,7,8)(H,9,10)
InChI Key:
SBUFEJQYGLRNDT-UHFFFAOYSA-N
SMILES:
ClCCP(=O)(OP(=O)(CCCl)O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.938g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.967g/mol
Monoisotopic Mass:
269.938g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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