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1000577-60-5 | 2-Amino-5-bromo-3-chloro-6-fluorobenzonitrile
CAS No: 1000577-60-5 Catalog No: AG01FA7D MDL No:MFCD09800806
Product Description
Catalog Number:
AG01FA7D
Chemical Name:
2-Amino-5-bromo-3-chloro-6-fluorobenzonitrile
CAS Number:
1000577-60-5
Molecular Formula:
C7H3BrClFN2
Molecular Weight:
249.4675
MDL Number:
MFCD09800806
IUPAC Name:
2-amino-5-bromo-3-chloro-6-fluorobenzonitrile
InChI:
InChI=1S/C7H3BrClFN2/c8-4-1-5(9)7(12)3(2-11)6(4)10/h1H,12H2
InChI Key:
IRFNZWZNSTWZMB-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)c(Cl)cc(c1F)Br
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.915g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.467g/mol
Monoisotopic Mass:
247.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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