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149490-78-8 | 1-Butanone, 1-(4-bromophenyl)-4-(1H-imidazol-1-yl)-
CAS No: 149490-78-8 Catalog No: AG001LRF MDL No:MFCD05864844
Product Description
Catalog Number:
AG001LRF
Chemical Name:
1-Butanone, 1-(4-bromophenyl)-4-(1H-imidazol-1-yl)-
CAS Number:
149490-78-8
Molecular Formula:
C13H13BrN2O
Molecular Weight:
293.1591
MDL Number:
MFCD05864844
IUPAC Name:
1-(4-bromophenyl)-4-imidazol-1-ylbutan-1-one
InChI:
InChI=1S/C13H13BrN2O/c14-12-5-3-11(4-6-12)13(17)2-1-8-16-9-7-15-10-16/h3-7,9-10H,1-2,8H2
InChI Key:
JYNSQBPZCFNNGF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)CCCn1cncc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.164g/mol
Monoisotopic Mass:
292.021g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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