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70303-33-2 | oxiran-2-ylmethyl 4-bromobenzenesulfonate
CAS No: 70303-33-2 Catalog No: AG005JW6 MDL No:
Product Description
Catalog Number:
AG005JW6
Chemical Name:
oxiran-2-ylmethyl 4-bromobenzenesulfonate
CAS Number:
70303-33-2
Molecular Formula:
C9H9BrO4S
Molecular Weight:
293.1344
IUPAC Name:
oxiran-2-ylmethyl 4-bromobenzenesulfonate
InChI:
InChI=1S/C9H9BrO4S/c10-7-1-3-9(4-2-7)15(11,12)14-6-8-5-13-8/h1-4,8H,5-6H2
InChI Key:
HKIQPUXWQXDDKA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)OCC1OC1
NSC Number:
145999
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.94g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.131g/mol
Monoisotopic Mass:
291.94g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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