Home Halogens 2-(3-bromo-2,6-difluorophenyl)acetonitrile

2-(3-bromo-2,6-difluorophenyl)acetonitrile

CAS No.:
1516081-14-3
Catalog Number:
AG01B89X
Molecular Formula:
C8H4BrF2N
Molecular Weight:
232.0249
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Product Description
Catalog Number:
AG01B89X
Chemical Name:
2-(3-bromo-2,6-difluorophenyl)acetonitrile
CAS Number:
1516081-14-3
Molecular Formula:
C8H4BrF2N
Molecular Weight:
232.0249
MDL Number:
MFCD28383744
IUPAC Name:
2-(3-bromo-2,6-difluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4BrF2N/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2H,3H2
InChI Key:
IWAMIZNQNATIKJ-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)ccc(c1F)Br
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.95g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.028g/mol
Monoisotopic Mass:
230.95g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties