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175202-80-9 | Benzene, 2-[[[4-(bromomethyl)phenyl]sulfonyl]methyl]-1,3-dichloro-
CAS No: 175202-80-9 Catalog No: AG0020HX MDL No:
Product Description
Catalog Number:
AG0020HX
Chemical Name:
Benzene, 2-[[[4-(bromomethyl)phenyl]sulfonyl]methyl]-1,3-dichloro-
CAS Number:
175202-80-9
Molecular Formula:
C14H11BrCl2O2S
Molecular Weight:
394.1109
IUPAC Name:
2-[[4-(bromomethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene
InChI:
InChI=1S/C14H11BrCl2O2S/c15-8-10-4-6-11(7-5-10)20(18,19)9-12-13(16)2-1-3-14(12)17/h1-7H,8-9H2
InChI Key:
SDEBGKLYRKDTFV-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)S(=O)(=O)Cc1c(Cl)cccc1Cl
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.904g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.104g/mol
Monoisotopic Mass:
391.904g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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