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939761-08-7 | Methyl 4'-(chlorosulfonyl)-[1,1'-biphenyl]-3-carboxylate
CAS No: 939761-08-7 Catalog No: AG003L8J MDL No:MFCD08544550
Product Description
Catalog Number:
AG003L8J
Chemical Name:
Methyl 4'-(chlorosulfonyl)-[1,1'-biphenyl]-3-carboxylate
CAS Number:
939761-08-7
Molecular Formula:
C14H11ClO4S
Molecular Weight:
310.7527
MDL Number:
MFCD08544550
IUPAC Name:
methyl 3-(4-chlorosulfonylphenyl)benzoate
InChI:
InChI=1S/C14H11ClO4S/c1-19-14(16)12-4-2-3-11(9-12)10-5-7-13(8-6-10)20(15,17)18/h2-9H,1H3
InChI Key:
HYZBNCCZGMNGPM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.748g/mol
Monoisotopic Mass:
310.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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