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Home > Nitro Compounds > 77093-81-3
77093-81-3 | Piperidine, 4-[(4-nitrophenyl)methyl]-
CAS No: 77093-81-3 Catalog No: AG00ICSJ MDL No:MFCD11590680
Product Description
Catalog Number:
AG00ICSJ
Chemical Name:
Piperidine, 4-[(4-nitrophenyl)methyl]-
CAS Number:
77093-81-3
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD11590680
IUPAC Name:
4-[(4-nitrophenyl)methyl]piperidine
InChI:
InChI=1S/C12H16N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-4,11,13H,5-9H2
InChI Key:
AVWJNEWPWOHGRY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CC1CCNCC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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