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505066-01-3 | 1-[(4-tert-butylphenyl)methyl]-4-nitro-1H-imidazole
CAS No: 505066-01-3 Catalog No: AG00IX4P MDL No:MFCD02745937
Product Description
Catalog Number:
AG00IX4P
Chemical Name:
1-[(4-tert-butylphenyl)methyl]-4-nitro-1H-imidazole
CAS Number:
505066-01-3
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD02745937
IUPAC Name:
1-[(4-tert-butylphenyl)methyl]-4-nitroimidazole
InChI:
InChI=1S/C14H17N3O2/c1-14(2,3)12-6-4-11(5-7-12)8-16-9-13(15-10-16)17(18)19/h4-7,9-10H,8H2,1-3H3
InChI Key:
SFYXRHKVGQAPDG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1)Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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