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Home > Nitro Compounds > 586412-89-7
586412-89-7 | 3-NITROPHENYL 4-PIPERIDINYL ETHER
CAS No: 586412-89-7 Catalog No: AG00F2PH MDL No:MFCD08688450
Product Description
Catalog Number:
AG00F2PH
Chemical Name:
3-NITROPHENYL 4-PIPERIDINYL ETHER
CAS Number:
586412-89-7
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD08688450
IUPAC Name:
4-(3-nitrophenoxy)piperidine
InChI:
InChI=1S/C11H14N2O3/c14-13(15)9-2-1-3-11(8-9)16-10-4-6-12-7-5-10/h1-3,8,10,12H,4-7H2
InChI Key:
SUSNPUXOGNMBCZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OC1CCNCC1
Properties
Complexity:
236
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:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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