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1193385-18-0 | Benzenamine, 5-bromo-3-fluoro-2-nitro-
CAS No: 1193385-18-0 Catalog No: AG000IM4 MDL No:MFCD23702246
Product Description
Catalog Number:
AG000IM4
Chemical Name:
Benzenamine, 5-bromo-3-fluoro-2-nitro-
CAS Number:
1193385-18-0
Molecular Formula:
C6H4BrFN2O2
Molecular Weight:
235.0106
MDL Number:
MFCD23702246
IUPAC Name:
5-bromo-3-fluoro-2-nitroaniline
InChI:
InChI=1S/C6H4BrFN2O2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H,9H2
InChI Key:
PTQHTXBNGYMWER-UHFFFAOYSA-N
SMILES:
Brc1cc(N)c(c(c1)F)[N+](=O)[O-]
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.012g/mol
Monoisotopic Mass:
233.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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