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87970-46-5 | 1H-Imidazole, 1-[4-(dimethylamino)benzoyl]-
CAS No: 87970-46-5 Catalog No: AG004LYE MDL No:
Product Description
Catalog Number:
AG004LYE
Chemical Name:
1H-Imidazole, 1-[4-(dimethylamino)benzoyl]-
CAS Number:
87970-46-5
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
[4-(dimethylamino)phenyl]-imidazol-1-ylmethanone
InChI:
InChI=1S/C12H13N3O/c1-14(2)11-5-3-10(4-6-11)12(16)15-8-7-13-9-15/h3-9H,1-2H3
InChI Key:
PKWHVPFMODHPBJ-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C(=O)n1cncc1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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