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Home > Nitro Compounds > 157831-75-9
157831-75-9 | Phenol, 2-nitro-5-(1-piperidinyl)-
CAS No: 157831-75-9 Catalog No: AG001PQD MDL No:
Product Description
Catalog Number:
AG001PQD
Chemical Name:
Phenol, 2-nitro-5-(1-piperidinyl)-
CAS Number:
157831-75-9
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
2-nitro-5-piperidin-1-ylphenol
InChI:
InChI=1S/C11H14N2O3/c14-11-8-9(4-5-10(11)13(15)16)12-6-2-1-3-7-12/h4-5,8,14H,1-3,6-7H2
InChI Key:
DDKAQSBPHIORAR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1O)N1CCCCC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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