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Home > Fluorides > 1233951-92-2
1233951-92-2 | 4-Fluoro-2-nitro-N-(piperidin-4-ylmethyl)aniline hydrochloride
CAS No: 1233951-92-2 Catalog No: AG01F64U MDL No:
Product Description
Catalog Number:
AG01F64U
Chemical Name:
4-Fluoro-2-nitro-N-(piperidin-4-ylmethyl)aniline hydrochloride
CAS Number:
1233951-92-2
Molecular Formula:
C12H17ClFN3O2
Molecular Weight:
289.7337
IUPAC Name:
4-fluoro-2-nitro-N-(piperidin-4-ylmethyl)aniline;hydrochloride
InChI:
InChI=1S/C12H16FN3O2.ClH/c13-10-1-2-11(12(7-10)16(17)18)15-8-9-3-5-14-6-4-9;/h1-2,7,9,14-15H,3-6,8H2;1H
InChI Key:
WLJDKSXAAUZYCM-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])NCC1CCNCC1.Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.735g/mol
Monoisotopic Mass:
289.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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