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33400-49-6 | N2-(4-Fluorobenzyl);-5-nitropyridine-2,6-diamine
CAS No: 33400-49-6 Catalog No: AG003GHU MDL No:MFCD08282317
Product Description
Catalog Number:
AG003GHU
Chemical Name:
N2-(4-Fluorobenzyl);-5-nitropyridine-2,6-diamine
CAS Number:
33400-49-6
Molecular Formula:
C12H11FN4O2
Molecular Weight:
262.2397
MDL Number:
MFCD08282317
IUPAC Name:
6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
InChI:
InChI=1S/C12H11FN4O2/c13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11/h1-6H,7H2,(H3,14,15,16)
InChI Key:
ZVCIIRBNNSUNCH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CNc1ccc(c(n1)N)[N+](=O)[O-]
EC Number:
251-498-3
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.244g/mol
Monoisotopic Mass:
262.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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