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Home > Nitro Compounds > 849056-84-4
849056-84-4 | 2-(3-methylpiperidin-1-yl)-5-nitrobenzonitrile
CAS No: 849056-84-4 Catalog No: AG00J94P MDL No:MFCD04539992
Product Description
Catalog Number:
AG00J94P
Chemical Name:
2-(3-methylpiperidin-1-yl)-5-nitrobenzonitrile
CAS Number:
849056-84-4
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD04539992
IUPAC Name:
2-(3-methylpiperidin-1-yl)-5-nitrobenzonitrile
InChI:
InChI=1S/C13H15N3O2/c1-10-3-2-6-15(9-10)13-5-4-12(16(17)18)7-11(13)8-14/h4-5,7,10H,2-3,6,9H2,1H3
InChI Key:
APLJWVBOLYEGMA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCCC(C1)C)[N+](=O)[O-]
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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