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Home > Nitro Compounds > 70444-48-3
70444-48-3 | Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro-
CAS No: 70444-48-3 Catalog No: AG005IWL MDL No:
Product Description
Catalog Number:
AG005IWL
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro-
CAS Number:
70444-48-3
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
2-tert-butyl-4-methyl-6-nitrophenol
InChI:
InChI=1S/C11H15NO3/c1-7-5-8(11(2,3)4)10(13)9(6-7)12(14)15/h5-6,13H,1-4H3
InChI Key:
NLRFBTUMGBHDRH-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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