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19128-48-4

19128-48-4 | Benzene, 2-bromo-1-chloro-3-nitro-

CAS No: 19128-48-4 Catalog No: AG002F5N MDL No:MFCD15527221

Product Description

Catalog Number:
AG002F5N
Chemical Name:
Benzene, 2-bromo-1-chloro-3-nitro-
CAS Number:
19128-48-4
Molecular Formula:
C6H3BrClNO2
Molecular Weight:
236.4505
MDL Number:
MFCD15527221
IUPAC Name:
2-bromo-1-chloro-3-nitrobenzene
InChI:
InChI=1S/C6H3BrClNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
InChI Key:
UYTRBIUOIKOGQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1Br)Cl

Properties

Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.904g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.449g/mol
Monoisotopic Mass:
234.904g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Literature

Title Journal
Synthesis, binding affinity, and transcriptional activity of hydroxy- and methoxy-substituted 3,4-diarylsalicylaldoximes on estrogen receptors alpha and beta. Bioorganic & medicinal chemistry 20030403

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