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26248-88-4

26248-88-4 | 1-Propanol, bromo-, phosphate (3:1) (8CI,9CI)

CAS No: 26248-88-4 Catalog No: AG002SFY MDL No:

Product Description

Catalog Number:
AG002SFY
Chemical Name:
1-Propanol, bromo-, phosphate (3:1) (8CI,9CI)
CAS Number:
26248-88-4
Molecular Formula:
C9H18Br3O4P
Molecular Weight:
460.9226
IUPAC Name:
1-bromopropan-1-ol;phosphoric acid
InChI:
InChI=1S/3C3H7BrO.H3O4P/c3*1-2-3(4)5;1-5(2,3)4/h3*3,5H,2H2,1H3;(H3,1,2,3,4)
InChI Key:
RXHAASDHWWBPHE-UHFFFAOYSA-N
SMILES:
BrCCCOP(=O)(OCCCBr)OCCCBr

Properties

Complexity:
72.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.879g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
514.97g/mol
Monoisotopic Mass:
511.881g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0

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