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145348-25-0 | Cyclopropanecarboxylic acid, 1-[(4-bromophenyl)sulfonyl]-, methyl ester
CAS No: 145348-25-0 Catalog No: AG001KTT MDL No:
Product Description
Catalog Number:
AG001KTT
Chemical Name:
Cyclopropanecarboxylic acid, 1-[(4-bromophenyl)sulfonyl]-, methyl ester
CAS Number:
145348-25-0
Molecular Formula:
C11H11BrO4S
Molecular Weight:
319.1716
IUPAC Name:
methyl 1-(4-bromophenyl)sulfonylcyclopropane-1-carboxylate
InChI:
InChI=1S/C11H11BrO4S/c1-16-10(13)11(6-7-11)17(14,15)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3
InChI Key:
IPABBDLXSJIQEG-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.956g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.169g/mol
Monoisotopic Mass:
317.956g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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