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Home > Bromides > 1310918-28-5
1310918-28-5 | Benzonitrile, 3-bromo-5-fluoro-4-nitro-
CAS No: 1310918-28-5 Catalog No: AG000VIF MDL No:
Product Description
Catalog Number:
AG000VIF
Chemical Name:
Benzonitrile, 3-bromo-5-fluoro-4-nitro-
CAS Number:
1310918-28-5
Molecular Formula:
C7H2BrFN2O2
Molecular Weight:
245.0054
IUPAC Name:
3-bromo-5-fluoro-4-nitrobenzonitrile
InChI:
InChI=1S/C7H2BrFN2O2/c8-5-1-4(3-10)2-6(9)7(5)11(12)13/h1-2H
InChI Key:
ZOGQMWGDGUPZQZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)Br)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.928g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.007g/mol
Monoisotopic Mass:
243.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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