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Home > Nitro Compounds > 15640-54-7
15640-54-7 | Phenol, 2-(1,1-dimethylethyl)-4-nitroso-
CAS No: 15640-54-7 Catalog No: AG001OPR MDL No:
Product Description
Catalog Number:
AG001OPR
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-4-nitroso-
CAS Number:
15640-54-7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
2-tert-butyl-4-nitrosophenol
InChI:
InChI=1S/C10H13NO2/c1-10(2,3)8-6-7(11-13)4-5-9(8)12/h4-6,12H,1-3H3
InChI Key:
HNNPPFFZPYTJCE-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(c(c1)C(C)(C)C)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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