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Home > Nitro Compounds > 40637-78-3
40637-78-3 | 2-methyl-6-nitrobenzamide
CAS No: 40637-78-3 Catalog No: AG01A8BD MDL No:MFCD11646084
Product Description
Catalog Number:
AG01A8BD
Chemical Name:
2-methyl-6-nitrobenzamide
CAS Number:
40637-78-3
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD11646084
IUPAC Name:
2-methyl-6-nitrobenzamide
InChI:
InChI=1S/C8H8N2O3/c1-5-3-2-4-6(10(12)13)7(5)8(9)11/h2-4H,1H3,(H2,9,11)
InChI Key:
DOQGEYYGGHYOJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C(=O)N)C
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:
0.1
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