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131885-34-2 | Benzenemethanamine, N-(5-fluoro-2-nitrophenyl)-
CAS No: 131885-34-2 Catalog No: AG000ZVG MDL No:MFCD17336280
Product Description
Catalog Number:
AG000ZVG
Chemical Name:
Benzenemethanamine, N-(5-fluoro-2-nitrophenyl)-
CAS Number:
131885-34-2
Molecular Formula:
C13H11FN2O2
Molecular Weight:
246.2370
MDL Number:
MFCD17336280
IUPAC Name:
N-benzyl-5-fluoro-2-nitroaniline
InChI:
InChI=1S/C13H11FN2O2/c14-11-6-7-13(16(17)18)12(8-11)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChI Key:
AEFSTURDBIFIBJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.241g/mol
Monoisotopic Mass:
246.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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