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Methyl 2- (chlorosulphonyl) benzoate

CAT: 0024-sc-263489Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-263489Size:1 g
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CAS Number
26638-43-7

Chemical Information

Benzoic acid, 2-(chlorosulfonyl)-, methyl ester
CAS Number26638-43-7
PubChem CID117830
IUPAC Namemethyl 2-chlorosulfonylbenzoate
Molecular FormulaC8H7ClO4S
Molecular Weight234.66
XLogP1.8
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity306
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3
InChIKey
HUNUAFNLLYVTQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoic acid, 2-(chlorosulfonyl)-, methyl ester
CAS: 26638-43-7
CID: 117830
Formula: C8H7ClO4S
MW: 234.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.66
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass233.9753576
Monoisotopic Mass233.9753576
Topological Polar Surface Area68.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR3564-01Methyl 3- (chlorosulphonyl) benzoate
OR28691-01Methyl 2- (chlorosulphonyl) benzoate
OR6079-01Methyl 4-[ (chlorosulphonyl) methyl]benzoate
OR52049Methyl 4- (chlorosulphonyl) butanoate
OR42015-01Methyl 3- (chlorosulphonyl) -4-methoxybenzoate
OR8120Methyl 5- (chlorosulphonyl) -2-furoate
OR8121Methyl 5- (chlorosulphonyl) -2-methyl-3-furoate
OR25981-01Methyl 5- (chlorosulphonyl) -4-methyl-2-thiophenecarboxylate
GL2503-1kgMethyl benzoate
OR3016-01Methyl 3- (chlorosulphonyl) thiophene-2-carboxylate

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