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18880-04-1 | Benzene, 4-(bromomethyl)-1,2-dichloro-
CAS No: 18880-04-1 Catalog No: AG002HC1 MDL No:MFCD00041363
Product Description
Catalog Number:
AG002HC1
Chemical Name:
Benzene, 4-(bromomethyl)-1,2-dichloro-
CAS Number:
18880-04-1
Molecular Formula:
C7H5BrCl2
Molecular Weight:
239.9246
MDL Number:
MFCD00041363
IUPAC Name:
4-(bromomethyl)-1,2-dichlorobenzene
InChI:
InChI=1S/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChI Key:
XLWSBDFQAJXCQX-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.895g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.921g/mol
Monoisotopic Mass:
237.895g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological evaluation of novel inhibitors of Trypanosoma brucei pteridine reductase 1. | ChemMedChem 20110207 |
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