Home Halogens 1-(2-bromoethyl)-4-chloro-3-nitro-1H-pyrazole

1-(2-bromoethyl)-4-chloro-3-nitro-1H-pyrazole

CAS No.:
1340390-69-3
Catalog Number:
AG01BV6K
Molecular Formula:
C5H5BrClN3O2
Molecular Weight:
254.4691
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Product Description
Catalog Number:
AG01BV6K
Chemical Name:
1-(2-bromoethyl)-4-chloro-3-nitro-1H-pyrazole
CAS Number:
1340390-69-3
Molecular Formula:
C5H5BrClN3O2
Molecular Weight:
254.4691
MDL Number:
MFCD19638481
IUPAC Name:
1-(2-bromoethyl)-4-chloro-3-nitropyrazole
InChI:
InChI=1S/C5H5BrClN3O2/c6-1-2-9-3-4(7)5(8-9)10(11)12/h3H,1-2H2
InChI Key:
NFQPQXDBQYRLGE-UHFFFAOYSA-N
SMILES:
BrCCn1cc(c(n1)[N+](=O)[O-])Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.925g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.468g/mol
Monoisotopic Mass:
252.925g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties