Home Nitros 2-Bromo-4,5-dinitrotoluene

2-Bromo-4,5-dinitrotoluene

CAS No.:
857001-14-0
Catalog Number:
AG003GNN
Molecular Formula:
C7H5BrN2O4
Molecular Weight:
261.0296
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Product Description
Catalog Number:
AG003GNN
Chemical Name:
2-Bromo-4,5-dinitrotoluene
CAS Number:
857001-14-0
Molecular Formula:
C7H5BrN2O4
Molecular Weight:
261.0296
MDL Number:
MFCD22574981
IUPAC Name:
1-bromo-2-methyl-4,5-dinitrobenzene
InChI:
InChI=1S/C7H5BrN2O4/c1-4-2-6(9(11)12)7(10(13)14)3-5(4)8/h2-3H,1H3
InChI Key:
DSQHAQRGHKMWNC-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.943g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.031g/mol
Monoisotopic Mass:
259.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties