Home Sulfos 4-(chlorosulfonyl)-3-methoxybenzoic acid

4-(chlorosulfonyl)-3-methoxybenzoic acid

CAS No.:
503446-60-4
Catalog Number:
AG01AGBT
Molecular Formula:
C8H7ClO5S
Molecular Weight:
250.6562
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Product Description
Catalog Number:
AG01AGBT
Chemical Name:
4-(chlorosulfonyl)-3-methoxybenzoic acid
CAS Number:
503446-60-4
Molecular Formula:
C8H7ClO5S
Molecular Weight:
250.6562
MDL Number:
MFCD31420652
IUPAC Name:
4-chlorosulfonyl-3-methoxybenzoic acid
InChI:
InChI=1S/C8H7ClO5S/c1-14-6-4-5(8(10)11)2-3-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)
InChI Key:
YHHPBNHWAVTPQW-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1S(=O)(=O)Cl)C(=O)O
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.97g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.649g/mol
Monoisotopic Mass:
249.97g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties