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35754-19-9 | 3-Bromo-4,5-dichloronitrobenzene
CAS No: 35754-19-9 Catalog No: AG01EVOT MDL No:MFCD26958723
Product Description
Catalog Number:
AG01EVOT
Chemical Name:
3-Bromo-4,5-dichloronitrobenzene
CAS Number:
35754-19-9
Molecular Formula:
C6H2BrCl2NO2
Molecular Weight:
270.8956
MDL Number:
MFCD26958723
IUPAC Name:
1-bromo-2,3-dichloro-5-nitrobenzene
InChI:
InChI=1S/C6H2BrCl2NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChI Key:
RCABTKXOACXLOX-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1Cl)Br)[N+](=O)[O-]
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.865g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.891g/mol
Monoisotopic Mass:
268.865g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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