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Home > Bromides > 1219501-75-3
1219501-75-3 | 1,3-Benzenedithiol, 5-bromo-
CAS No: 1219501-75-3 Catalog No: AG0016GB MDL No:
Product Description
Catalog Number:
AG0016GB
Chemical Name:
1,3-Benzenedithiol, 5-bromo-
CAS Number:
1219501-75-3
Molecular Formula:
C6H5BrS2
Molecular Weight:
221.1379
IUPAC Name:
5-bromobenzene-1,3-dithiol
InChI:
InChI=1S/C6H5BrS2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
InChI Key:
AHHCKAJHIBGSHJ-UHFFFAOYSA-N
SMILES:
Sc1cc(S)cc(c1)Br
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.902g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.13g/mol
Monoisotopic Mass:
219.902g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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