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141938-37-6 | Benzene, 1,3-dibromo-5-(methylthio)-
CAS No: 141938-37-6 Catalog No: AG001HF1 MDL No:MFCD22488913
Product Description
Catalog Number:
AG001HF1
Chemical Name:
Benzene, 1,3-dibromo-5-(methylthio)-
CAS Number:
141938-37-6
Molecular Formula:
C7H6Br2S
Molecular Weight:
281.9955
MDL Number:
MFCD22488913
IUPAC Name:
1,3-dibromo-5-methylsulfanylbenzene
InChI:
InChI=1S/C7H6Br2S/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChI Key:
OFAQYBZJADFVPV-UHFFFAOYSA-N
SMILES:
CSc1cc(Br)cc(c1)Br
Properties
Complexity:
97.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.854g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.993g/mol
Monoisotopic Mass:
279.856g/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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