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Home > Nitro Compounds > 88954-09-0
88954-09-0 | 1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-nitro-
CAS No: 88954-09-0 Catalog No: AG0046T0 MDL No:
Product Description
Catalog Number:
AG0046T0
Chemical Name:
1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-nitro-
CAS Number:
88954-09-0
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
2-tert-butyl-5-nitrobenzene-1,3-diol
InChI:
InChI=1S/C10H13NO4/c1-10(2,3)9-7(12)4-6(11(14)15)5-8(9)13/h4-5,12-13H,1-3H3
InChI Key:
QAPMGNYRQUGAFD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(O)c(c(c1)O)C(C)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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