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28700-28-9 | 1-Propanol, dibromo-, 1,1',1''-phosphate
CAS No: 28700-28-9 Catalog No: AG002W6M MDL No:
Product Description
Catalog Number:
AG002W6M
Chemical Name:
1-Propanol, dibromo-, 1,1',1''-phosphate
CAS Number:
28700-28-9
Molecular Formula:
C9H21Br6O7P
Molecular Weight:
751.6566
IUPAC Name:
1,1-dibromopropan-1-ol;phosphoric acid
InChI:
InChI=1S/3C3H6Br2O.H3O4P/c3*1-2-3(4,5)6;1-5(2,3)4/h3*6H,2H2,1H3;(H3,1,2,3,4)
InChI Key:
XKGGZNSWYMLSBX-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCC(Br)(Br)O.CCC(Br)(Br)O.CCC(Br)(Br)O
Properties
Complexity:
93.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
751.606g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
751.658g/mol
Monoisotopic Mass:
745.613g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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