Home Sulfos 1-Naphthalenecarboxylic acid, 5-(chlorosulfonyl)-, methyl ester

1-Naphthalenecarboxylic acid, 5-(chlorosulfonyl)-, methyl ester

CAS No.:
141952-09-2
Catalog Number:
AG007Z3L
Molecular Formula:
C12H9ClO4S
Molecular Weight:
284.7155
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Product Description
Catalog Number:
AG007Z3L
Chemical Name:
1-Naphthalenecarboxylic acid, 5-(chlorosulfonyl)-, methyl ester
CAS Number:
141952-09-2
Molecular Formula:
C12H9ClO4S
Molecular Weight:
284.7155
IUPAC Name:
methyl 5-chlorosulfonylnaphthalene-1-carboxylate
InChI:
InChI=1S/C12H9ClO4S/c1-17-12(14)10-6-2-5-9-8(10)4-3-7-11(9)18(13,15)16/h2-7H,1H3
InChI Key:
CNFVMBKEYPEFQX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1cccc2S(=O)(=O)Cl
Properties
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.991g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.71g/mol
Monoisotopic Mass:
283.991g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties