Home Nitriles 2-Bromo-4,6-difluorobenzonitrile

2-Bromo-4,6-difluorobenzonitrile

CAS No.:
1337606-50-4
Catalog Number:
AG00HSZJ
Molecular Formula:
C7H2BrF2N
Molecular Weight:
217.9983
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Product Description
Catalog Number:
AG00HSZJ
Chemical Name:
2-Bromo-4,6-difluorobenzonitrile
CAS Number:
1337606-50-4
Molecular Formula:
C7H2BrF2N
Molecular Weight:
217.9983
MDL Number:
MFCD28401849
IUPAC Name:
2-bromo-4,6-difluorobenzonitrile
InChI:
InChI=1S/C7H2BrF2N/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H
InChI Key:
FXAHYHGFMOWUAL-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cc(cc1Br)F
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.934g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.001g/mol
Monoisotopic Mass:
216.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties