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16588-26-4 | Benzene, 2-bromo-1-chloro-4-nitro-
CAS No: 16588-26-4 Catalog No: AG001WDR MDL No:MFCD00100437
Product Description
Catalog Number:
AG001WDR
Chemical Name:
Benzene, 2-bromo-1-chloro-4-nitro-
CAS Number:
16588-26-4
Molecular Formula:
C6H3BrClNO2
Molecular Weight:
236.4505
MDL Number:
MFCD00100437
IUPAC Name:
2-bromo-1-chloro-4-nitrobenzene
InChI:
InChI=1S/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChI Key:
CGTVUAQWGSZCFH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)Br)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:
3.2
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