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343317-55-5 | 2-(1,2-benzoxazol-3-yl)ethane-1-sulfonyl chloride
CAS No: 343317-55-5 Catalog No: AG01B3WW MDL No:MFCD19200847
Product Description
Catalog Number:
AG01B3WW
Chemical Name:
2-(1,2-benzoxazol-3-yl)ethane-1-sulfonyl chloride
CAS Number:
343317-55-5
Molecular Formula:
C9H8ClNO3S
Molecular Weight:
245.6827
MDL Number:
MFCD19200847
IUPAC Name:
2-(1,2-benzoxazol-3-yl)ethanesulfonyl chloride
InChI:
InChI=1S/C9H8ClNO3S/c10-15(12,13)6-5-8-7-3-1-2-4-9(7)14-11-8/h1-4H,5-6H2
InChI Key:
AHGNKLDDBDXSPB-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)CCc1noc2c1cccc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.677g/mol
Monoisotopic Mass:
244.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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