Chemical ID: 3964501

CS(=O)(=O)c1ccc(cc1)Br
Chemical ID:
3964501
Name [?]:
1-bromo-4-methylsulfonyl-benzene
SMILES [?]:
CS(=O)(=O)c1ccc(cc1)Br
InChi [?]:
InChI=1/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,9,6,10,8,5,11,3,4,2/E:(2,3)(4,5)(9,10)/CRV:11.6/rA:11nCSOOCCCCCCBr/rB:s1;d2;d2;s2;s5;d6;s7;d8;d5s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7BrO2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.02659
Area:330.329
Solvation:-2.23163
Coulombic:-3.08443
Bond Count [?]
All:11
Single:6
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:235.099
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.34
LogP (Chemaxon):1.61

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