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2092694-14-7 | {4H,6H,7H-pyrano[3,4-d][1,2]oxazol-3-yl}methanesulfonyl chloride
CAS No: 2092694-14-7 Catalog No: AG01BTNT MDL No:MFCD31592791
Product Description
Catalog Number:
AG01BTNT
Chemical Name:
{4H,6H,7H-pyrano[3,4-d][1,2]oxazol-3-yl}methanesulfonyl chloride
CAS Number:
2092694-14-7
Molecular Formula:
C7H8ClNO4S
Molecular Weight:
237.6607
MDL Number:
MFCD31592791
IUPAC Name:
6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethanesulfonyl chloride
InChI:
InChI=1S/C7H8ClNO4S/c8-14(10,11)4-6-5-3-12-2-1-7(5)13-9-6/h1-4H2
InChI Key:
HJIWDPRJFWAAJE-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)Cc1noc2c1COCC2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.654g/mol
Monoisotopic Mass:
236.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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