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1150114-26-3 | Benzenamine, 4-bromo-N-(1,1-dimethylethyl)-5-fluoro-2-nitro-
CAS No: 1150114-26-3 Catalog No: AG000FLX MDL No:MFCD12025955
Product Description
Catalog Number:
AG000FLX
Chemical Name:
Benzenamine, 4-bromo-N-(1,1-dimethylethyl)-5-fluoro-2-nitro-
CAS Number:
1150114-26-3
Molecular Formula:
C10H12BrFN2O2
Molecular Weight:
291.1169
MDL Number:
MFCD12025955
IUPAC Name:
4-bromo-N-tert-butyl-5-fluoro-2-nitroaniline
InChI:
InChI=1S/C10H12BrFN2O2/c1-10(2,3)13-8-5-7(12)6(11)4-9(8)14(15)16/h4-5,13H,1-3H3
InChI Key:
HNSIZDZRAOLNCA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1NC(C)(C)C)F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.12g/mol
Monoisotopic Mass:
290.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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