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Home > Imidazoles > 1243204-92-3
1243204-92-3 | 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzonitrile
CAS No: 1243204-92-3 Catalog No: AG00J09M MDL No:MFCD18907001
Product Description
Catalog Number:
AG00J09M
Chemical Name:
3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzonitrile
CAS Number:
1243204-92-3
Molecular Formula:
C12H11N3O
Molecular Weight:
213.2352
MDL Number:
MFCD18907001
IUPAC Name:
3-methoxy-4-(4-methylimidazol-1-yl)benzonitrile
InChI:
InChI=1S/C12H11N3O/c1-9-7-15(8-14-9)11-4-3-10(6-13)5-12(11)16-2/h3-5,7-8H,1-2H3
InChI Key:
PHDBCCIZTKTFGY-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1n1cnc(c1)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.24g/mol
Monoisotopic Mass:
213.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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