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Home > Nitro Compounds > 126395-17-3
126395-17-3 | Benzamide, 2,4,6-trihydroxy-3-nitro-N-propyl-
CAS No: 126395-17-3 Catalog No: AG000SQE MDL No:
Product Description
Catalog Number:
AG000SQE
Chemical Name:
Benzamide, 2,4,6-trihydroxy-3-nitro-N-propyl-
CAS Number:
126395-17-3
Molecular Formula:
C10H12N2O6
Molecular Weight:
256.2121
IUPAC Name:
2,4,6-trihydroxy-3-nitro-N-propylbenzamide
InChI:
InChI=1S/C10H12N2O6/c1-2-3-11-10(16)7-5(13)4-6(14)8(9(7)15)12(17)18/h4,13-15H,2-3H2,1H3,(H,11,16)
InChI Key:
JUJLLFXMJMSYBD-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1c(O)cc(c(c1O)[N+](=O)[O-])O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
256.214g/mol
Monoisotopic Mass:
256.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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