Home Bromides 1011801-59-4
1011801-59-4,MFCD03727250
Catalog No.:AA0003T8
1011801-59-4 | 1H-Pyrazole, 1-(2-bromoethyl)-4-chloro-
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1g
95%
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$78.00
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5g
95%
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$228.00
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Technical Information
Catalog Number:
AA0003T8
Chemical Name:
1H-Pyrazole, 1-(2-bromoethyl)-4-chloro-
CAS Number:
1011801-59-4
Molecular Formula:
C5H6BrClN2
Molecular Weight:
209.4715
MDL Number:
MFCD03727250
IUPAC Name:
1-(2-bromoethyl)-4-chloropyrazole
InChI:
InChI=1S/C5H6BrClN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2
InChI Key:
JWVGNGVIZSRTHN-UHFFFAOYSA-N
SMILES:
Clc1cn(nc1)CCBr
Properties
Computed Properties
 
Complexity:
91  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.94g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.471g/mol
Monoisotopic Mass:
207.94g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1-(2-BROMOETHYL)-4-CHLORO-1H-PYRAZOLE 
1011801-59-4 
AJ-71155 
DA-19291 
1H-Pyrazole, 1-(2-bromoethyl)-4-chloro- 
FT-0743937 
Y-0805 
1-(2-Bromoethyl)-4-chloro-1H-pyrazole, AldrichCPR 
1-(2-bromoethyl)-4-chloro-pyrazole 
CID4711796 
AC1NFP7F 
SCHEMBL1934943 
CTK3J9592 
DTXSID30405680 
1-(2-bromoethyl)-4-chloropyrazole 
MFCD03727250 
ZINC19089276 
AKOS010029707 
Literature
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