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68019-66-9 | 1H-Imidazole,1-[(4-methoxyphenyl)methyl]-4-nitro-
CAS No: 68019-66-9 Catalog No: AG00610V MDL No:MFCD00607632
Product Description
Catalog Number:
AG00610V
Chemical Name:
1H-Imidazole,1-[(4-methoxyphenyl)methyl]-4-nitro-
CAS Number:
68019-66-9
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD00607632
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-4-nitroimidazole
InChI:
InChI=1S/C11H11N3O3/c1-17-10-4-2-9(3-5-10)6-13-7-11(12-8-13)14(15)16/h2-5,7-8H,6H2,1H3
InChI Key:
VAXHFZPLOZDEGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cnc(c1)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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