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Home > Imidazoles > 149396-89-4
149396-89-4 | 1H-Imidazole-2-methanol, α-[3,5-bis(1,1-dimethylethyl)-2-hydroxyphenyl]-1-methyl-5-nitro-
CAS No: 149396-89-4 Catalog No: AG001LO0 MDL No:
Product Description
Catalog Number:
AG001LO0
Chemical Name:
1H-Imidazole-2-methanol, α-[3,5-bis(1,1-dimethylethyl)-2-hydroxyphenyl]-1-methyl-5-nitro-
CAS Number:
149396-89-4
Molecular Formula:
C19H27N3O4
Molecular Weight:
361.4354
IUPAC Name:
2,4-ditert-butyl-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol
InChI:
InChI=1S/C19H27N3O4/c1-18(2,3)11-8-12(15(23)13(9-11)19(4,5)6)16(24)17-20-10-14(21(17)7)22(25)26/h8-10,16,23-24H,1-7H3
InChI Key:
UDEUGEPKOYAIRN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.442g/mol
Monoisotopic Mass:
361.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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