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791594-86-0 | Benzoxazole,4-methyl-2-(methylsulfonyl)-
CAS No: 791594-86-0 Catalog No: AG005AVE MDL No:
Product Description
Catalog Number:
AG005AVE
Chemical Name:
Benzoxazole,4-methyl-2-(methylsulfonyl)-
CAS Number:
791594-86-0
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
4-methyl-2-methylsulfonyl-1,3-benzoxazole
InChI:
InChI=1S/C9H9NO3S/c1-6-4-3-5-7-8(6)10-9(13-7)14(2,11)12/h3-5H,1-2H3
InChI Key:
GWJMRTXJBNWAEL-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nc(o2)S(=O)(=O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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