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Home > Bromides > 2138566-81-9
2138566-81-9 | ethyl 5-bromo-4-(chlorosulfonyl)-2-methylbenzoate
CAS No: 2138566-81-9 Catalog No: AG01EIWD MDL No:MFCD31559343
Product Description
Catalog Number:
AG01EIWD
Chemical Name:
ethyl 5-bromo-4-(chlorosulfonyl)-2-methylbenzoate
CAS Number:
2138566-81-9
Molecular Formula:
C10H10BrClO4S
Molecular Weight:
341.6060
MDL Number:
MFCD31559343
IUPAC Name:
ethyl 5-bromo-4-chlorosulfonyl-2-methylbenzoate
InChI:
InChI=1S/C10H10BrClO4S/c1-3-16-10(13)7-5-8(11)9(4-6(7)2)17(12,14)15/h4-5H,3H2,1-2H3
InChI Key:
BIKFKEAAWKPYAH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)c(cc1C)S(=O)(=O)Cl
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.917g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.6g/mol
Monoisotopic Mass:
339.917g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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