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Home > Nitro Compounds > 32117-03-6
32117-03-6 | Benzonitrile, 3-nitro-4-(1-piperidinyl)-
CAS No: 32117-03-6 Catalog No: AG00I635 MDL No:MFCD01529715
Product Description
Catalog Number:
AG00I635
Chemical Name:
Benzonitrile, 3-nitro-4-(1-piperidinyl)-
CAS Number:
32117-03-6
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD01529715
IUPAC Name:
3-nitro-4-piperidin-1-ylbenzonitrile
InChI:
InChI=1S/C12H13N3O2/c13-9-10-4-5-11(12(8-10)15(16)17)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChI Key:
NVYLIFFJNJWOSE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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