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2873-18-9 | Thiophene, 2-bromo-5-chloro-
CAS No: 2873-18-9 Catalog No: AG002WA4 MDL No:MFCD00014523
Product Description
Catalog Number:
AG002WA4
Chemical Name:
Thiophene, 2-bromo-5-chloro-
CAS Number:
2873-18-9
Molecular Formula:
C4H2BrClS
Molecular Weight:
197.4807
MDL Number:
MFCD00014523
IUPAC Name:
2-bromo-5-chlorothiophene
InChI:
InChI=1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H
InChI Key:
ZFAJPWYXLYGUJU-UHFFFAOYSA-N
SMILES:
Clc1ccc(s1)Br
EC Number:
220-708-5
Properties
Complexity:
68.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.875g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.474g/mol
Monoisotopic Mass:
195.875g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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