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142161-53-3 | Ethanone, 1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]-
CAS No: 142161-53-3 Catalog No: AG001HVP MDL No:MFCD11109863
Product Description
Catalog Number:
AG001HVP
Chemical Name:
Ethanone, 1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]-
CAS Number:
142161-53-3
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD11109863
IUPAC Name:
1-[4-(4-methylimidazol-1-yl)phenyl]ethanone
InChI:
InChI=1S/C12H12N2O/c1-9-7-14(8-13-9)12-5-3-11(4-6-12)10(2)15/h3-8H,1-2H3
InChI Key:
XVSAOSPGDUFLCH-UHFFFAOYSA-N
SMILES:
Cc1ncn(c1)c1ccc(cc1)C(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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