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1261927-35-8 | Benzenamine, 4-bromo-5-fluoro-2-nitro-N-propyl-
CAS No: 1261927-35-8 Catalog No: AG000S6P MDL No:MFCD18311824
Product Description
Catalog Number:
AG000S6P
Chemical Name:
Benzenamine, 4-bromo-5-fluoro-2-nitro-N-propyl-
CAS Number:
1261927-35-8
Molecular Formula:
C9H10BrFN2O2
Molecular Weight:
277.0903
MDL Number:
MFCD18311824
IUPAC Name:
4-bromo-5-fluoro-2-nitro-N-propylaniline
InChI:
InChI=1S/C9H10BrFN2O2/c1-2-3-12-8-5-7(11)6(10)4-9(8)13(14)15/h4-5,12H,2-3H2,1H3
InChI Key:
OQKJMCBZXPDHHY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1NCCC)F
Properties
Complexity:
225
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:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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