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Home > Nitro Compounds > 1233958-44-5
1233958-44-5 | 1-Methyl-4-[(2-nitrophenoxy)methyl]piperidine
CAS No: 1233958-44-5 Catalog No: AG01ER6S MDL No:
Product Description
Catalog Number:
AG01ER6S
Chemical Name:
1-Methyl-4-[(2-nitrophenoxy)methyl]piperidine
CAS Number:
1233958-44-5
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
1-methyl-4-[(2-nitrophenoxy)methyl]piperidine
InChI:
InChI=1S/C13H18N2O3/c1-14-8-6-11(7-9-14)10-18-13-5-3-2-4-12(13)15(16)17/h2-5,11H,6-10H2,1H3
InChI Key:
OGXQSDCWGRDAKA-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)COc1ccccc1[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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