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849035-70-7 | Benzene,1,2-dibromo-4-(methylsulfonyl)-
CAS No: 849035-70-7 Catalog No: AG004M8J MDL No:MFCD04037933
Product Description
Catalog Number:
AG004M8J
Chemical Name:
Benzene,1,2-dibromo-4-(methylsulfonyl)-
CAS Number:
849035-70-7
Molecular Formula:
C7H6Br2O2S
Molecular Weight:
313.9943
MDL Number:
MFCD04037933
IUPAC Name:
1,2-dibromo-4-methylsulfonylbenzene
InChI:
InChI=1S/C7H6Br2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:
JGENMUVSNPGICT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1Br)S(=O)(=O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.843g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.991g/mol
Monoisotopic Mass:
311.846g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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