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Home > Nitro Compounds > 126395-15-1
126395-15-1 | Benzamide, 2,4,6-trihydroxy-N-methyl-3-nitro-
CAS No: 126395-15-1 Catalog No: AG000SQF MDL No:
Product Description
Catalog Number:
AG000SQF
Chemical Name:
Benzamide, 2,4,6-trihydroxy-N-methyl-3-nitro-
CAS Number:
126395-15-1
Molecular Formula:
C8H8N2O6
Molecular Weight:
228.1589
IUPAC Name:
2,4,6-trihydroxy-N-methyl-3-nitrobenzamide
InChI:
InChI=1S/C8H8N2O6/c1-9-8(14)5-3(11)2-4(12)6(7(5)13)10(15)16/h2,11-13H,1H3,(H,9,14)
InChI Key:
AUWJIXZLNBYPCU-UHFFFAOYSA-N
SMILES:
CNC(=O)c1c(O)cc(c(c1O)[N+](=O)[O-])O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
228.16g/mol
Monoisotopic Mass:
228.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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