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Home > Imidazoles > 129696-60-2
129696-60-2 | 1H-Imidazole, 1-[(1S)-1-phenylethyl]-
CAS No: 129696-60-2 Catalog No: AG000TLQ MDL No:
Product Description
Catalog Number:
AG000TLQ
Chemical Name:
1H-Imidazole, 1-[(1S)-1-phenylethyl]-
CAS Number:
129696-60-2
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
1-(1-phenylethyl)imidazole
InChI:
InChI=1S/C11H12N2/c1-10(13-8-7-12-9-13)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
ZXIUPWHIKAQKOG-UHFFFAOYSA-N
SMILES:
C[C@H](n1cncc1)c1ccccc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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