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Home > Nitro Compounds > 129227-97-0
129227-97-0 | Benzamide, 2,4,6-trihydroxy-3-nitro-N-(phenylmethyl)-
CAS No: 129227-97-0 Catalog No: AG000YZU MDL No:
Product Description
Catalog Number:
AG000YZU
Chemical Name:
Benzamide, 2,4,6-trihydroxy-3-nitro-N-(phenylmethyl)-
CAS Number:
129227-97-0
Molecular Formula:
C14H12N2O6
Molecular Weight:
304.2549
IUPAC Name:
N-benzyl-2,4,6-trihydroxy-3-nitrobenzamide
InChI:
InChI=1S/C14H12N2O6/c17-9-6-10(18)12(16(21)22)13(19)11(9)14(20)15-7-8-4-2-1-3-5-8/h1-6,17-19H,7H2,(H,15,20)
InChI Key:
TUPKTPUXGINPSV-UHFFFAOYSA-N
SMILES:
O=C(c1c(O)cc(c(c1O)[N+](=O)[O-])O)NCc1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
304.258g/mol
Monoisotopic Mass:
304.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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