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1383601-79-3 | 4-phenyl-1-(prop-2-yn-1-yl)-1H-imidazole
CAS No: 1383601-79-3 Catalog No: AG01EMSM MDL No:MFCD31457266
Product Description
Catalog Number:
AG01EMSM
Chemical Name:
4-phenyl-1-(prop-2-yn-1-yl)-1H-imidazole
CAS Number:
1383601-79-3
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
MDL Number:
MFCD31457266
IUPAC Name:
4-phenyl-1-prop-2-ynylimidazole
InChI:
InChI=1S/C12H10N2/c1-2-8-14-9-12(13-10-14)11-6-4-3-5-7-11/h1,3-7,9-10H,8H2
InChI Key:
UEUPHUJSTAPYDN-UHFFFAOYSA-N
SMILES:
C#CCn1cnc(c1)c1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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