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Home > Nitro Compounds > 652145-62-5
652145-62-5 | 4-Piperidinecarbonitrile, 4-(2-methoxy-5-nitrophenyl)-1-(1-methylethyl)-
CAS No: 652145-62-5 Catalog No: AG00H6RV MDL No:
Product Description
Catalog Number:
AG00H6RV
Chemical Name:
4-Piperidinecarbonitrile, 4-(2-methoxy-5-nitrophenyl)-1-(1-methylethyl)-
CAS Number:
652145-62-5
Molecular Formula:
C16H21N3O3
Molecular Weight:
303.3562
IUPAC Name:
4-(2-methoxy-5-nitrophenyl)-1-propan-2-ylpiperidine-4-carbonitrile
InChI:
InChI=1S/C16H21N3O3/c1-12(2)18-8-6-16(11-17,7-9-18)14-10-13(19(20)21)4-5-15(14)22-3/h4-5,10,12H,6-9H2,1-3H3
InChI Key:
VDKRVXCPZATCIX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C1(CCN(CC1)C(C)C)C#N)[N+](=O)[O-]
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.362g/mol
Monoisotopic Mass:
303.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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