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

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

CAS No.:
885689-61-2
Catalog Number:
AG01AAYZ
Molecular Formula:
C5H6BrN3O2
Molecular Weight:
220.0240
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Product Description
Catalog Number:
AG01AAYZ
Chemical Name:
1-(2-bromoethyl)-3-nitro-1H-pyrazole
CAS Number:
885689-61-2
Molecular Formula:
C5H6BrN3O2
Molecular Weight:
220.0240
MDL Number:
MFCD14594888
IUPAC Name:
1-(2-bromoethyl)-3-nitropyrazole
InChI:
InChI=1S/C5H6BrN3O2/c6-2-4-8-3-1-5(7-8)9(10)11/h1,3H,2,4H2
InChI Key:
PHKHRTPFEHTJFQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCBr
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.964g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.026g/mol
Monoisotopic Mass:
218.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties