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1187386-00-0,MFCD12756453
Catalog No.:AA003HW6
1187386-00-0 | 4-Iodo-1-(pyridin-3-ylmethyl)pyrazole
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Purity
Availability
Price(USD)
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1g
97%
in stock  
$86.00   $60.00
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5g
97%
in stock  
$258.00   $180.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003HW6
Chemical Name:
4-Iodo-1-(pyridin-3-ylmethyl)pyrazole
CAS Number:
1187386-00-0
Molecular Formula:
C9H8IN3
Molecular Weight:
285.0844
MDL Number:
MFCD12756453
IUPAC Name:
3-[(4-iodopyrazol-1-yl)methyl]pyridine
InChI:
InChI=1S/C9H8IN3/c10-9-5-12-13(7-9)6-8-2-1-3-11-4-8/h1-5,7H,6H2
InChI Key:
CYDDDZSHUDUZPN-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)Cc1cccnc1
Properties
Computed Properties
 
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.976g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.088g/mol
Monoisotopic Mass:
284.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1187386-00-0 
3-((4-Iodo-1H-pyrazol-1-yl)methyl)pyridine 
ZINC38537883 
AKOS013754524 
AJ-96261 
TR-034267 
ST24022510 
Z7979 
A-5287 
I14-25457 
C9H8IN3 
4-IODO-1-(PYRIDIN-3-YLMETHYL)PYRAZOLE 
3-[(4-Iodo-1H-pyrazol-1-yl)methyl]pyridine 
ACMC-2099z5 
SCHEMBL12068737 
CTK4B0849 
DTXSID90675382 
ANW-17199 
MFCD12756453 
Literature
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