Home Halogens 3-(3-bromo-1H-pyrazol-1-yl)propanenitrile

3-(3-bromo-1H-pyrazol-1-yl)propanenitrile

CAS No.:
1289266-59-6
Catalog Number:
AG01EL55
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
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Product Description
Catalog Number:
AG01EL55
Chemical Name:
3-(3-bromo-1H-pyrazol-1-yl)propanenitrile
CAS Number:
1289266-59-6
Molecular Formula:
C6H6BrN3
Molecular Weight:
200.0359
MDL Number:
MFCD29112224
IUPAC Name:
3-(3-bromopyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C6H6BrN3/c7-6-2-5-10(9-6)4-1-3-8/h2,5H,1,4H2
InChI Key:
YNLFRSYRAFGCMK-UHFFFAOYSA-N
SMILES:
Brc1ccn(n1)CCC#N
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.975g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.039g/mol
Monoisotopic Mass:
198.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties