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1279865-14-3 | Benzonitrile, 2-amino-4-bromo-6-fluoro-
CAS No: 1279865-14-3 Catalog No: AG000XN6 MDL No:MFCD28155022
Product Description
Catalog Number:
AG000XN6
Chemical Name:
Benzonitrile, 2-amino-4-bromo-6-fluoro-
CAS Number:
1279865-14-3
Molecular Formula:
C7H4BrFN2
Molecular Weight:
215.0225
MDL Number:
MFCD28155022
IUPAC Name:
2-amino-4-bromo-6-fluorobenzonitrile
InChI:
InChI=1S/C7H4BrFN2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2H,11H2
InChI Key:
MIQCEWVIFALFRN-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)cc(cc1F)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.025g/mol
Monoisotopic Mass:
213.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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