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Home > Nitro Compounds > 652145-61-4
652145-61-4 | 4-Piperidinecarbonitrile, 4-(2-methoxy-5-nitrophenyl)-
CAS No: 652145-61-4 Catalog No: AG00H6RW MDL No:
Product Description
Catalog Number:
AG00H6RW
Chemical Name:
4-Piperidinecarbonitrile, 4-(2-methoxy-5-nitrophenyl)-
CAS Number:
652145-61-4
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
IUPAC Name:
4-(2-methoxy-5-nitrophenyl)piperidine-4-carbonitrile
InChI:
InChI=1S/C13H15N3O3/c1-19-12-3-2-10(16(17)18)8-11(12)13(9-14)4-6-15-7-5-13/h2-3,8,15H,4-7H2,1H3
InChI Key:
LTOWGEIJEKVXOR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C1(CCNCC1)C#N)[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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