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303102-04-7 | Diphosphoric acid, mono(4-chloro-3-hydroxy-3-methylbutyl) ester (9CI)
CAS No: 303102-04-7 Catalog No: AG002ZN7 MDL No:
Product Description
Catalog Number:
AG002ZN7
Chemical Name:
Diphosphoric acid, mono(4-chloro-3-hydroxy-3-methylbutyl) ester (9CI)
CAS Number:
303102-04-7
Molecular Formula:
C5H10ClO8P2---
Molecular Weight:
295.5286
IUPAC Name:
[(4-chloro-3-hydroxy-3-methylbutoxy)-oxidophosphoryl] phosphate
InChI:
InChI=1S/C5H13ClO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/p-3
InChI Key:
QBANKAKMTONFFM-UHFFFAOYSA-K
SMILES:
ClCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])(O)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.954g/mol
Formal Charge:
-3
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.525g/mol
Monoisotopic Mass:
294.954g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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