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1263404-74-5 | 1,3-Benzenediamine, N1-[(4-fluorophenyl)methyl]-4-nitro-
CAS No: 1263404-74-5 Catalog No: AG000SOB MDL No:MFCD22543813
Product Description
Catalog Number:
AG000SOB
Chemical Name:
1,3-Benzenediamine, N1-[(4-fluorophenyl)methyl]-4-nitro-
CAS Number:
1263404-74-5
Molecular Formula:
C13H12FN3O2
Molecular Weight:
261.2517
MDL Number:
MFCD22543813
IUPAC Name:
1-N-[(4-fluorophenyl)methyl]-4-nitrobenzene-1,3-diamine
InChI:
InChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)8-16-11-5-6-13(17(18)19)12(15)7-11/h1-7,16H,8,15H2
InChI Key:
BGRAXSCMDDBKRP-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CNc1ccc(c(c1)N)[N+](=O)[O-]
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.256g/mol
Monoisotopic Mass:
261.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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