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878432-93-0 | 3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride
CAS No: 878432-93-0 Catalog No: AG01ACL7 MDL No:MFCD07643291
Product Description
Catalog Number:
AG01ACL7
Chemical Name:
3-ethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride
CAS Number:
878432-93-0
Molecular Formula:
C9H8ClNO4S
Molecular Weight:
261.6821
MDL Number:
MFCD07643291
IUPAC Name:
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonyl chloride
InChI:
InChI=1S/C9H8ClNO4S/c1-2-11-7-4-3-6(16(10,13)14)5-8(7)15-9(11)12/h3-5H,2H2,1H3
InChI Key:
ICXHUQMWWZGCGK-UHFFFAOYSA-N
SMILES:
CCn1c(=O)oc2c1ccc(c2)S(=O)(=O)Cl
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.676g/mol
Monoisotopic Mass:
260.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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