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6320-01-0 | 3-Bromothiophenol
CAS No: 6320-01-0 Catalog No: AG003J5F MDL No:MFCD00009603
Product Description
Catalog Number:
AG003J5F
Chemical Name:
3-Bromothiophenol
CAS Number:
6320-01-0
Molecular Formula:
C6H5BrS
Molecular Weight:
189.0729
MDL Number:
MFCD00009603
IUPAC Name:
3-bromobenzenethiol
InChI:
InChI=1S/C6H5BrS/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChI Key:
HNGQQUDFJDROPY-UHFFFAOYSA-N
SMILES:
Sc1cccc(c1)Br
EC Number:
228-664-9
NSC Number:
32017
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.93g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.07g/mol
Monoisotopic Mass:
187.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Selective inhibitors of the JMJD2 histone demethylases: combined nondenaturing mass spectrometric screening and crystallographic approaches. | Journal of medicinal chemistry 20100225 |
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