Home Nitros 4-Bromo-3-methyl-5-nitrobenzamide

4-Bromo-3-methyl-5-nitrobenzamide

CAS No.:
1807208-72-5
Catalog Number:
AG01FOUN
Molecular Formula:
C8H7BrN2O3
Molecular Weight:
259.0568
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Product Description
Catalog Number:
AG01FOUN
Chemical Name:
4-Bromo-3-methyl-5-nitrobenzamide
CAS Number:
1807208-72-5
Molecular Formula:
C8H7BrN2O3
Molecular Weight:
259.0568
MDL Number:
MFCD28745107
IUPAC Name:
4-bromo-3-methyl-5-nitrobenzamide
InChI:
InChI=1S/C8H7BrN2O3/c1-4-2-5(8(10)12)3-6(7(4)9)11(13)14/h2-3H,1H3,(H2,10,12)
InChI Key:
DAHXBPXTQUXLTK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Br)C)C(=O)N
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.964g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.059g/mol
Monoisotopic Mass:
257.964g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties