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39213-20-2 | 3,5-Dibromobenzenesulfonyl chloride
CAS No: 39213-20-2 Catalog No: AG00379N MDL No:MFCD12025425
Product Description
Catalog Number:
AG00379N
Chemical Name:
3,5-Dibromobenzenesulfonyl chloride
CAS Number:
39213-20-2
Molecular Formula:
C6H3Br2ClO2S
Molecular Weight:
334.4128
MDL Number:
MFCD12025425
IUPAC Name:
3,5-dibromobenzenesulfonyl chloride
InChI:
InChI=1S/C6H3Br2ClO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H
InChI Key:
PCSALOWJAYHZFZ-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)Br)S(=O)(=O)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.789g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.406g/mol
Monoisotopic Mass:
331.791g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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