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19217-59-5 | Benzene, [bromo[(phenylmethyl)sulfonyl]methyl]-
CAS No: 19217-59-5 Catalog No: AG002FPG MDL No:
Product Description
Catalog Number:
AG002FPG
Chemical Name:
Benzene, [bromo[(phenylmethyl)sulfonyl]methyl]-
CAS Number:
19217-59-5
Molecular Formula:
C14H13BrO2S
Molecular Weight:
325.2208
IUPAC Name:
[bromo(phenyl)methyl]sulfonylmethylbenzene
InChI:
InChI=1S/C14H13BrO2S/c15-14(13-9-5-2-6-10-13)18(16,17)11-12-7-3-1-4-8-12/h1-10,14H,11H2
InChI Key:
WSAVKRNOQDMKLH-UHFFFAOYSA-N
SMILES:
BrC(S(=O)(=O)Cc1ccccc1)c1ccccc1
NSC Number:
109948
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.982g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.22g/mol
Monoisotopic Mass:
323.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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