Home Halogens 2-(5-bromo-2-fluorophenyl)-2-methylpropanenitrile

2-(5-bromo-2-fluorophenyl)-2-methylpropanenitrile

CAS No.:
913719-91-2
Catalog Number:
AG01A3LQ
Molecular Formula:
C10H9BrFN
Molecular Weight:
242.0876
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Product Description
Catalog Number:
AG01A3LQ
Chemical Name:
2-(5-bromo-2-fluorophenyl)-2-methylpropanenitrile
CAS Number:
913719-91-2
Molecular Formula:
C10H9BrFN
Molecular Weight:
242.0876
MDL Number:
MFCD19694641
IUPAC Name:
2-(5-bromo-2-fluorophenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C10H9BrFN/c1-10(2,6-13)8-5-7(11)3-4-9(8)12/h3-5H,1-2H3
InChI Key:
BIPHQLOGJYEAJK-UHFFFAOYSA-N
SMILES:
N#CC(c1cc(Br)ccc1F)(C)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.091g/mol
Monoisotopic Mass:
240.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties