Home Bromides 100397-96-4
100397-96-4,MFCD04114399
Catalog No.:AA0001TA
100397-96-4 | 1-(4-Bromophenyl)-2-(pyridin-4-yl)ethanone
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100mg
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2 weeks  
$121.00   $85.00
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250mg
97%
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$159.00   $112.00
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5g
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$2,533.00   $1,773.00
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Technical Information
Catalog Number:
AA0001TA
Chemical Name:
1-(4-Bromophenyl)-2-(pyridin-4-yl)ethanone
CAS Number:
100397-96-4
Molecular Formula:
C13H10BrNO
Molecular Weight:
276.1286
MDL Number:
MFCD04114399
IUPAC Name:
1-(4-bromophenyl)-2-pyridin-4-ylethanone
InChI:
InChI=1S/C13H10BrNO/c14-12-3-1-11(2-4-12)13(16)9-10-5-7-15-8-6-10/h1-8H,9H2
InChI Key:
NKFPGRBMSCKIBN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Cc1ccncc1
Properties
Computed Properties
 
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.995g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.133g/mol
Monoisotopic Mass:
274.995g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
100397-96-4 
1-(4-bromophenyl)-2-(pyridin-4-yl)ethanone 
9463AH 
MFCD04114399 
ZINC83950222 
AKOS014921161 
AB18231 
DS-7784 
AK153549 
AJ-126080 
AX8027100 
DB-058428 
1-(4-BROMO-PHENYL)-2-PYRIDIN-4-YL-ETHANONE 
l-(4-bromophenyl)-2-(4-pyridyl)-ethanone 
FT-0737492 
Z-5112 
ETHANONE, 1-(4-BROMOPHENYL)-2-(4-PYRIDINYL)- 
C13H10BrNO 
1-(4-BROMOPHENYL)-2-(PYRIDIN-4-YL)ETHAN-1-ONE 
Ethanone,1-(4-bromophenyl)-2-(4-pyridinyl)- 
ACMC-20m3gh 
SCHEMBL7433779 
CTK3J8908 
DTXSID30618753 
NKFPGRBMSCKIBN-UHFFFAOYSA-N 
Literature
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