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1829-37-4 | Phenol, 2-bromo-, 1-acetate
CAS No: 1829-37-4 Catalog No: AG002485 MDL No:MFCD01861194
Product Description
Catalog Number:
AG002485
Chemical Name:
Phenol, 2-bromo-, 1-acetate
CAS Number:
1829-37-4
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD01861194
IUPAC Name:
(2-bromophenyl) acetate
InChI:
InChI=1S/C8H7BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
InChI Key:
BEHBHYYPTOHUHX-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1Br
EC Number:
217-380-0
NSC Number:
404082
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Discovery of selective inhibitors against EBNA1 via high throughput in silico virtual screening. | PloS one 20100101 |
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