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89799-80-4 | 3-((BROMOACETYL)OXY)-1-PROPANESULFONIC ACID
CAS No: 89799-80-4 Catalog No: AG003ZIC MDL No:
Product Description
Catalog Number:
AG003ZIC
Chemical Name:
3-((BROMOACETYL)OXY)-1-PROPANESULFONIC ACID
CAS Number:
89799-80-4
Molecular Formula:
C5H9BrO5S
Molecular Weight:
261.0910
IUPAC Name:
3-(2-bromoacetyl)oxypropane-1-sulfonic acid
InChI:
InChI=1S/C5H9BrO5S/c6-4-5(7)11-2-1-3-12(8,9)10/h1-4H2,(H,8,9,10)
InChI Key:
HVTCXWFFAHQFGR-UHFFFAOYSA-N
SMILES:
BrCC(=O)OCCCS(=O)(=O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.086g/mol
Monoisotopic Mass:
259.935g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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