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30148-20-0 | Methanone, (1-methyl-1H-imidazol-2-yl)(4-nitrophenyl)-
CAS No: 30148-20-0 Catalog No: AG00I5NI MDL No:MFCD03942210
Product Description
Catalog Number:
AG00I5NI
Chemical Name:
Methanone, (1-methyl-1H-imidazol-2-yl)(4-nitrophenyl)-
CAS Number:
30148-20-0
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
MDL Number:
MFCD03942210
IUPAC Name:
(1-methylimidazol-2-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C11H9N3O3/c1-13-7-6-12-11(13)10(15)8-2-4-9(5-3-8)14(16)17/h2-7H,1H3
InChI Key:
JQVQTYAQIFLRCI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(=O)c1nccn1C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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