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765-58-2 | 2-Bromo-5-methylthiophene
CAS No: 765-58-2 Catalog No: AG003GQ7 MDL No:MFCD00130103
Product Description
Catalog Number:
AG003GQ7
Chemical Name:
2-Bromo-5-methylthiophene
CAS Number:
765-58-2
Molecular Formula:
C5H5BrS
Molecular Weight:
177.0622
MDL Number:
MFCD00130103
IUPAC Name:
2-bromo-5-methylthiophene
InChI:
InChI=1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3
InChI Key:
ACDLOOGOFKSUPO-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)Br
EC Number:
212-151-1
Properties
Complexity:
65.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.93g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.059g/mol
Monoisotopic Mass:
175.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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