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Home > Nitro Compounds > 175135-21-4
175135-21-4 | Phenol, 5-(4-methyl-1-piperidinyl)-2-nitro-
CAS No: 175135-21-4 Catalog No: AG00205T MDL No:MFCD00052664
Product Description
Catalog Number:
AG00205T
Chemical Name:
Phenol, 5-(4-methyl-1-piperidinyl)-2-nitro-
CAS Number:
175135-21-4
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD00052664
IUPAC Name:
5-(4-methylpiperidin-1-yl)-2-nitrophenol
InChI:
InChI=1S/C12H16N2O3/c1-9-4-6-13(7-5-9)10-2-3-11(14(16)17)12(15)8-10/h2-3,8-9,15H,4-7H2,1H3
InChI Key:
XLBYPCXKNAUCKD-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1ccc(c(c1)O)[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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