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2138169-55-6 | {4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazol-3-yl}methanesulfonyl chloride
CAS No: 2138169-55-6 Catalog No: AG01EIYI MDL No:
Product Description
Catalog Number:
AG01EIYI
Chemical Name:
{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazol-3-yl}methanesulfonyl chloride
CAS Number:
2138169-55-6
Molecular Formula:
C9H12ClNO3S
Molecular Weight:
249.7145
IUPAC Name:
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-ylmethanesulfonyl chloride
InChI:
InChI=1S/C9H12ClNO3S/c10-15(12,13)6-8-7-4-2-1-3-5-9(7)14-11-8/h1-6H2
InChI Key:
FSPIPBLXXZZTKX-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)Cc1noc2c1CCCCC2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.709g/mol
Monoisotopic Mass:
249.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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