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Home > Nitro Compounds > 6637-54-3
6637-54-3 | 4-(4-methylpiperidino)-3-nitrobenzamide
CAS No: 6637-54-3 Catalog No: AG00JGTX MDL No:MFCD02577644
Product Description
Catalog Number:
AG00JGTX
Chemical Name:
4-(4-methylpiperidino)-3-nitrobenzamide
CAS Number:
6637-54-3
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
MDL Number:
MFCD02577644
IUPAC Name:
4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
InChI:
InChI=1S/C13H17N3O3/c1-9-4-6-15(7-5-9)11-3-2-10(13(14)17)8-12(11)16(18)19/h2-3,8-9H,4-7H2,1H3,(H2,14,17)
InChI Key:
JYTMTVBQIJBDGR-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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