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1227958-53-3 | 4-Pyridinamine, 2-bromo-5-fluoro-3-nitro-
CAS No: 1227958-53-3 Catalog No: AG000JHB MDL No:MFCD21648227
Product Description
Catalog Number:
AG000JHB
Chemical Name:
4-Pyridinamine, 2-bromo-5-fluoro-3-nitro-
CAS Number:
1227958-53-3
Molecular Formula:
C5H3BrFN3O2
Molecular Weight:
235.9986
MDL Number:
MFCD21648227
IUPAC Name:
2-bromo-5-fluoro-3-nitropyridin-4-amine
InChI:
InChI=1S/C5H3BrFN3O2/c6-5-4(10(11)12)3(8)2(7)1-9-5/h1H,(H2,8,9)
InChI Key:
FSWBMPKJVVBGEM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)ncc(c1N)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:
234.939g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236g/mol
Monoisotopic Mass:
234.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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