Home Bromides 1004017-87-1
1004017-87-1,MFCD03885074
Catalog No.:AA0001UF
1004017-87-1 | 1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone
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500mg
3 weeks  
$159.00   $112.00
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1g
3 weeks  
$172.00   $120.00
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5g
3 weeks  
$279.00   $195.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0001UF
Chemical Name:
1-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone
CAS Number:
1004017-87-1
Molecular Formula:
C8H11BrN2O
Molecular Weight:
231.0897
MDL Number:
MFCD03885074
IUPAC Name:
1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-one
InChI:
InChI=1S/C8H11BrN2O/c1-5(12)4-11-7(3)8(9)6(2)10-11/h4H2,1-3H3
InChI Key:
DJBKJULCIPAZCS-UHFFFAOYSA-N
SMILES:
CC(=O)Cn1nc(c(c1C)Br)C
Properties
Computed Properties
 
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.005g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.093g/mol
Monoisotopic Mass:
230.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1004017-87-1 
1-(4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)acetone 
MFCD03885074 
SBB022588 
STK349876 
AKOS000311485 
MCULE-2271954467 
BP-11181 
ST45091725 
Y-0929 
1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-one 
2-Propanone, 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)- 
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one 
ZINC02518452 
CID3400036 
1-(4-bromo-3,5-dimethylpyrazolyl)acetone 
AC1MOTVU 
1-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-propan-2-one 
SCHEMBL15231004 
CTK3J8910 
DTXSID00392139 
ZINC2518452 
Literature
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