Home Halogens 4-bromo-2-nitrobenzene-1-thiol

4-bromo-2-nitrobenzene-1-thiol

CAS No.:
76209-02-4
Catalog Number:
AG019TZJ
Molecular Formula:
C6H4BrNO2S
Molecular Weight:
234.0705
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Product Description
Catalog Number:
AG019TZJ
Chemical Name:
4-bromo-2-nitrobenzene-1-thiol
CAS Number:
76209-02-4
Molecular Formula:
C6H4BrNO2S
Molecular Weight:
234.0705
MDL Number:
MFCD14652161
IUPAC Name:
4-bromo-2-nitrobenzenethiol
InChI:
InChI=1S/C6H4BrNO2S/c7-4-1-2-6(11)5(3-4)8(9)10/h1-3,11H
InChI Key:
AJQYWSYQGXVQBM-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[N+](=O)[O-])S
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.915g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.067g/mol
Monoisotopic Mass:
232.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties