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Home > Imidazoles > 1799421-12-7
1799421-12-7 | Benzenepropanamide, 3-(1H-imidazol-2-yl)-
CAS No: 1799421-12-7 Catalog No: AG0021HL MDL No:
Product Description
Catalog Number:
AG0021HL
Chemical Name:
Benzenepropanamide, 3-(1H-imidazol-2-yl)-
CAS Number:
1799421-12-7
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
3-[3-(1H-imidazol-2-yl)phenyl]propanamide
InChI:
InChI=1S/C12H13N3O/c13-11(16)5-4-9-2-1-3-10(8-9)12-14-6-7-15-12/h1-3,6-8H,4-5H2,(H2,13,16)(H,14,15)
InChI Key:
XBRLJCDHQOOAHE-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1cccc(c1)c1ncc[nH]1
Properties
Complexity:
244
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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