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Home > Nitro Compounds > 2780-27-0
2780-27-0 | Phenol, 4-(1,1-dimethylethyl)-2-[2-(4-nitrophenyl)diazenyl]-
CAS No: 2780-27-0 Catalog No: AG002USX MDL No:
Product Description
Catalog Number:
AG002USX
Chemical Name:
Phenol, 4-(1,1-dimethylethyl)-2-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
2780-27-0
Molecular Formula:
C16H17N3O3
Molecular Weight:
299.3245
IUPAC Name:
4-tert-butyl-2-[(4-nitrophenyl)diazenyl]phenol
InChI:
InChI=1S/C16H17N3O3/c1-16(2,3)11-4-9-15(20)14(10-11)18-17-12-5-7-13(8-6-12)19(21)22/h4-10,20H,1-3H3
InChI Key:
HKRYSDJDDQBSMZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1N=Nc1ccc(cc1)[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.33g/mol
Monoisotopic Mass:
299.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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