Home Bromides 1005615-47-3
1005615-47-3,MFCD04967354
Catalog No.:AA00029E
1005615-47-3 | 1H-Pyrazole-1-propanoic acid, 4-bromo-α-methyl-, methyl ester
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500mg
2 weeks  
$642.00   $449.00
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1g
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$695.00   $487.00
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5g
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$1,600.00   $1,120.00
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10g
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25g
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  • Technical Information
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Technical Information
Catalog Number:
AA00029E
Chemical Name:
1H-Pyrazole-1-propanoic acid, 4-bromo-α-methyl-, methyl ester
CAS Number:
1005615-47-3
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
MDL Number:
MFCD04967354
IUPAC Name:
methyl 3-(4-bromopyrazol-1-yl)-2-methylpropanoate
InChI:
InChI=1S/C8H11BrN2O2/c1-6(8(12)13-2)4-11-5-7(9)3-10-11/h3,5-6H,4H2,1-2H3
InChI Key:
DPUDEVDDEIUTCA-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC)Cn1cc(cn1)Br
Properties
Computed Properties
 
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.092g/mol
Monoisotopic Mass:
246g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
methyl 3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate 
1005615-47-3 
NE25360 
SC-72509 
DB-058454 
FT-0751371 
ST45092341 
methyl 3-(4-bromopyrazol-1-yl)-2-methylpropanoate 
Methyl 3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropano 
Z1313483437 
3-(4-Bromo-pyrazol-1-yl)-2-methyl-propionic acid methyl ester 
1H-Pyrazole-1-propanoic acid, 4-bromo-alpha-methyl-, methyl ester 
methyl 3-(4-bromopyrazolyl)-2-methylpropanoate 
3-(4-bromo-pyrazol-1-yl)-2-methyl-propionic acid m ethyl ester 
Methyl 3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropionate 
CTK6A3516 
DTXSID50588681 
MFCD04967354 
SBB021341 
STK313145 
AKOS000305766 
MCULE-3200519641 
Literature
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