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2092694-26-1 | (4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanesulfonyl chloride
CAS No: 2092694-26-1 Catalog No: AG01BTNS MDL No:MFCD31381311
Product Description
Catalog Number:
AG01BTNS
Chemical Name:
(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanesulfonyl chloride
CAS Number:
2092694-26-1
Molecular Formula:
C8H10ClNO3S
Molecular Weight:
235.6879
MDL Number:
MFCD31381311
IUPAC Name:
4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanesulfonyl chloride
InChI:
InChI=1S/C8H10ClNO3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-5H2
InChI Key:
WTVIKCCVASEAII-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)Cc1noc2c1CCCC2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.682g/mol
Monoisotopic Mass:
235.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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