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179897-90-6 | Benzene, 1,3-dibromo-2-chloro-5-fluoro-
CAS No: 179897-90-6 Catalog No: AG0027CT MDL No:MFCD00061122
Product Description
Catalog Number:
AG0027CT
Chemical Name:
Benzene, 1,3-dibromo-2-chloro-5-fluoro-
CAS Number:
179897-90-6
Molecular Formula:
C6H2Br2ClF
Molecular Weight:
288.3395
MDL Number:
MFCD00061122
IUPAC Name:
1,3-dibromo-2-chloro-5-fluorobenzene
InChI:
InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChI Key:
PZKDJJMHRYNBOR-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)c(c(c1)Br)Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.818g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.338g/mol
Monoisotopic Mass:
285.82g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test. | Acta crystallographica. Section B, Structural science 20090401 |
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