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100516-85-6 | 2-Propanol, 1-chloro-3-iodo-, acetate (6CI,9CI)
CAS No: 100516-85-6 Catalog No: AG00028L MDL No:
Product Description
Catalog Number:
AG00028L
Chemical Name:
2-Propanol, 1-chloro-3-iodo-, acetate (6CI,9CI)
CAS Number:
100516-85-6
Molecular Formula:
C5H8ClIO2
Molecular Weight:
262.4733
IUPAC Name:
acetic acid;1-chloro-3-iodopropan-2-ol
InChI:
InChI=1S/C3H6ClIO.C2H4O2/c4-1-3(6)2-5;1-2(3)4/h3,6H,1-2H2;1H3,(H,3,4)
InChI Key:
WPHFCRRDDDWTBE-UHFFFAOYSA-N
SMILES:
ClCC(OC(=O)C)CI
Properties
Complexity:
65
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.936g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.486g/mol
Monoisotopic Mass:
279.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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