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1155910-64-7 | Benzoic acid, 3,4-dichloro-5-(chlorosulfonyl)-, methyl ester
CAS No: 1155910-64-7 Catalog No: AG000G7Q MDL No:
Product Description
Catalog Number:
AG000G7Q
Chemical Name:
Benzoic acid, 3,4-dichloro-5-(chlorosulfonyl)-, methyl ester
CAS Number:
1155910-64-7
Molecular Formula:
C8H5Cl3O4S
Molecular Weight:
303.5469
IUPAC Name:
methyl 3,4-dichloro-5-chlorosulfonylbenzoate
InChI:
InChI=1S/C8H5Cl3O4S/c1-15-8(12)4-2-5(9)7(10)6(3-4)16(11,13)14/h2-3H,1H3
InChI Key:
KPRHEOJHGAVHLO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1)S(=O)(=O)Cl)Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.897g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.534g/mol
Monoisotopic Mass:
301.897g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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