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88149-48-8 | Benzenamine, 2,4-dibromo-6-(methylthio)-
CAS No: 88149-48-8 Catalog No: AG004D3I MDL No:
Product Description
Catalog Number:
AG004D3I
Chemical Name:
Benzenamine, 2,4-dibromo-6-(methylthio)-
CAS Number:
88149-48-8
Molecular Formula:
C7H7Br2NS
Molecular Weight:
297.0102
IUPAC Name:
2,4-dibromo-6-methylsulfanylaniline
InChI:
InChI=1S/C7H7Br2NS/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3
InChI Key:
KRXHPDQZNARDMQ-UHFFFAOYSA-N
SMILES:
CSc1cc(Br)cc(c1N)Br
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.865g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.008g/mol
Monoisotopic Mass:
294.867g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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