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1314987-28-4 | Benzenamine, 4-bromo-5-fluoro-N-(1-methylethyl)-2-nitro-
CAS No: 1314987-28-4 Catalog No: AG000WBY MDL No:MFCD19684090
Product Description
Catalog Number:
AG000WBY
Chemical Name:
Benzenamine, 4-bromo-5-fluoro-N-(1-methylethyl)-2-nitro-
CAS Number:
1314987-28-4
Molecular Formula:
C9H10BrFN2O2
Molecular Weight:
277.0903
MDL Number:
MFCD19684090
IUPAC Name:
4-bromo-5-fluoro-2-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C9H10BrFN2O2/c1-5(2)12-8-4-7(11)6(10)3-9(8)13(14)15/h3-5,12H,1-2H3
InChI Key:
BPXMIORTUXUUGS-UHFFFAOYSA-N
SMILES:
CC(Nc1cc(F)c(cc1[N+](=O)[O-])Br)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.093g/mol
Monoisotopic Mass:
275.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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