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1183262-68-1 | 2-ethyl-1,3-benzoxazole-5-sulfonyl chloride
CAS No: 1183262-68-1 Catalog No: AG01A66D MDL No:MFCD12157424
Product Description
Catalog Number:
AG01A66D
Chemical Name:
2-ethyl-1,3-benzoxazole-5-sulfonyl chloride
CAS Number:
1183262-68-1
Molecular Formula:
C9H8ClNO3S
Molecular Weight:
245.6827
MDL Number:
MFCD12157424
IUPAC Name:
2-ethyl-1,3-benzoxazole-5-sulfonyl chloride
InChI:
InChI=1S/C9H8ClNO3S/c1-2-9-11-7-5-6(15(10,12)13)3-4-8(7)14-9/h3-5H,2H2,1H3
InChI Key:
LKWUMIFXOVBJJM-UHFFFAOYSA-N
SMILES:
CCc1oc2c(n1)cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
327
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:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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