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88040-86-2 | 2-Methoxy-5-methylbenzene-1-sulfonyl chloride
CAS No: 88040-86-2 Catalog No: AG004MOF MDL No:MFCD00060552
Product Description
Catalog Number:
AG004MOF
Chemical Name:
2-Methoxy-5-methylbenzene-1-sulfonyl chloride
CAS Number:
88040-86-2
Molecular Formula:
C8H9ClO3S
Molecular Weight:
220.6733
MDL Number:
MFCD00060552
IUPAC Name:
2-methoxy-5-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H9ClO3S/c1-6-3-4-7(12-2)8(5-6)13(9,10)11/h3-5H,1-2H3
InChI Key:
BJYNYQGJTZULJI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)Cl)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.667g/mol
Monoisotopic Mass:
219.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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