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27600-87-9 | Ethanone, 1-(bromophenyl)-
CAS No: 27600-87-9 Catalog No: AG002U6U MDL No:
Product Description
Catalog Number:
AG002U6U
Chemical Name:
Ethanone, 1-(bromophenyl)-
CAS Number:
27600-87-9
Molecular Formula:
C24H21Br3O3
Molecular Weight:
597.1337
IUPAC Name:
1-(2-bromophenyl)ethanone
InChI:
InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChI Key:
PIMNFNXBTGPCIL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1Br.Brc1cccc(c1)C(=O)C.Brc1ccc(cc1)C(=O)C
EC Number:
218-398-1
NSC Number:
155380
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.047g/mol
Monoisotopic Mass:
197.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| (E)-3-(2-Bromo-phen-yl)-1-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20120301 |
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