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1000343-37-2 | Benzamide, 3-bromo-4-methyl-5-nitro-
CAS No: 1000343-37-2 Catalog No: AG0000KJ MDL No:
Product Description
Catalog Number:
AG0000KJ
Chemical Name:
Benzamide, 3-bromo-4-methyl-5-nitro-
CAS Number:
1000343-37-2
Molecular Formula:
C8H7BrN2O3
Molecular Weight:
259.0568
IUPAC Name:
3-bromo-4-methyl-5-nitrobenzamide
InChI:
InChI=1S/C8H7BrN2O3/c1-4-6(9)2-5(8(10)12)3-7(4)11(13)14/h2-3H,1H3,(H2,10,12)
InChI Key:
IRAZNFGBZLUEHH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)Br)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:
1.5
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