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Home > Nitro Compounds > 19013-11-7
19013-11-7 | Benzamide, 4-methyl-3-nitro-
CAS No: 19013-11-7 Catalog No: AG002ED0 MDL No:
Product Description
Catalog Number:
AG002ED0
Chemical Name:
Benzamide, 4-methyl-3-nitro-
CAS Number:
19013-11-7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
IUPAC Name:
4-methyl-3-nitrobenzamide
InChI:
InChI=1S/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
InChI Key:
YEUGEQUFPMJGCD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)C(=O)N
EC Number:
242-752-4
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:
1.3
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