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101084-82-6 | Benzene, 4-bromo-2-chloro-1-(methylthio)-
CAS No: 101084-82-6 Catalog No: AG0003QG MDL No:MFCD22543648
Product Description
Catalog Number:
AG0003QG
Chemical Name:
Benzene, 4-bromo-2-chloro-1-(methylthio)-
CAS Number:
101084-82-6
Molecular Formula:
C7H6BrClS
Molecular Weight:
237.5445
MDL Number:
MFCD22543648
IUPAC Name:
4-bromo-2-chloro-1-methylsulfanylbenzene
InChI:
InChI=1S/C7H6BrClS/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChI Key:
CNLWPJFTHPGRAM-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1Cl)Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.906g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.539g/mol
Monoisotopic Mass:
235.906g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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