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936822-38-7 | 4-((3,5-Dimethylisoxazol-4-yl)methoxy)benzene-1-sulfonyl chloride
CAS No: 936822-38-7 Catalog No: AG00IHQL MDL No:MFCD08752949
Product Description
Catalog Number:
AG00IHQL
Chemical Name:
4-((3,5-Dimethylisoxazol-4-yl)methoxy)benzene-1-sulfonyl chloride
CAS Number:
936822-38-7
Molecular Formula:
C12H12ClNO4S
Molecular Weight:
301.7460
MDL Number:
MFCD08752949
IUPAC Name:
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzenesulfonyl chloride
InChI:
InChI=1S/C12H12ClNO4S/c1-8-12(9(2)18-14-8)7-17-10-3-5-11(6-4-10)19(13,15)16/h3-6H,7H2,1-2H3
InChI Key:
WMBLNQMECZMFNG-UHFFFAOYSA-N
SMILES:
Cc1onc(c1COc1ccc(cc1)S(=O)(=O)Cl)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.741g/mol
Monoisotopic Mass:
301.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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