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88136-36-1 | 2-Furancarboxylic acid, 5-[2-(chlorosulfonyl)phenyl]-, methyl ester
CAS No: 88136-36-1 Catalog No: AG004DGZ MDL No:
Product Description
Catalog Number:
AG004DGZ
Chemical Name:
2-Furancarboxylic acid, 5-[2-(chlorosulfonyl)phenyl]-, methyl ester
CAS Number:
88136-36-1
Molecular Formula:
C12H9ClO5S
Molecular Weight:
300.7149
IUPAC Name:
methyl 5-(2-chlorosulfonylphenyl)furan-2-carboxylate
InChI:
InChI=1S/C12H9ClO5S/c1-17-12(14)10-7-6-9(18-10)8-4-2-3-5-11(8)19(13,15)16/h2-7H,1H3
InChI Key:
HLIXGORTLOXBAR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)c1ccccc1S(=O)(=O)Cl
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.986g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.709g/mol
Monoisotopic Mass:
299.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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