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Home > Bromides > 1326714-50-4
1326714-50-4 | Benzonitrile, 3-bromo-2-fluoro-5-nitro-
CAS No: 1326714-50-4 Catalog No: AG0010YR MDL No:
Product Description
Catalog Number:
AG0010YR
Chemical Name:
Benzonitrile, 3-bromo-2-fluoro-5-nitro-
CAS Number:
1326714-50-4
Molecular Formula:
C7H2BrFN2O2
Molecular Weight:
245.0054
IUPAC Name:
3-bromo-2-fluoro-5-nitrobenzonitrile
InChI:
InChI=1S/C7H2BrFN2O2/c8-6-2-5(11(12)13)1-4(3-10)7(6)9/h1-2H
InChI Key:
BWPPPVZYKMSWJW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1F)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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