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Home > Nitro Compounds > 99584-85-7
99584-85-7 | 3-Methyl-4-nitrobenzamide
CAS No: 99584-85-7 Catalog No: AG003JQ1 MDL No:MFCD00031468
Product Description
Catalog Number:
AG003JQ1
Chemical Name:
3-Methyl-4-nitrobenzamide
CAS Number:
99584-85-7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD00031468
IUPAC Name:
3-methyl-4-nitrobenzamide
InChI:
InChI=1S/C8H8N2O3/c1-5-4-6(8(9)11)2-3-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
InChI Key:
BCAAGQMIPKPDDX-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/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
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