Home Sulfos 4-(chloromethyl)-1-methanesulfonyl-2-methoxybenzene

4-(chloromethyl)-1-methanesulfonyl-2-methoxybenzene

CAS No.:
1311317-51-7
Catalog Number:
AG01AHD7
Molecular Formula:
C9H11ClO3S
Molecular Weight:
234.6998
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Product Description
Catalog Number:
AG01AHD7
Chemical Name:
4-(chloromethyl)-1-methanesulfonyl-2-methoxybenzene
CAS Number:
1311317-51-7
Molecular Formula:
C9H11ClO3S
Molecular Weight:
234.6998
MDL Number:
MFCD18483296
IUPAC Name:
4-(chloromethyl)-2-methoxy-1-methylsulfonylbenzene
InChI:
InChI=1S/C9H11ClO3S/c1-13-8-5-7(6-10)3-4-9(8)14(2,11)12/h3-5H,6H2,1-2H3
InChI Key:
SIXAKSBTOCXCSL-UHFFFAOYSA-N
SMILES:
COc1cc(CCl)ccc1S(=O)(=O)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.694g/mol
Monoisotopic Mass:
234.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties