Name: Name:{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazol-3-yl}methanesulfonyl chloride
Brand: Angene
SKU: AG01EIYI
Rating: 90 (10 reviews)

{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazol-3-yl}methanesulfonyl chloride

CAS No.:

2138169-55-6

Catalog Number:

AG01EIYI

Molecular Formula:

C9H12ClNO3S

Molecular Weight:

249.7145

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

MDL Number:

MFCD31594209

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

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.709g/mol

Monoisotopic Mass:

249.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1