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Home > Nitro Compounds > 32117-05-8
32117-05-8 | Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester
CAS No: 32117-05-8 Catalog No: AG00I636 MDL No:
Product Description
Catalog Number:
AG00I636
Chemical Name:
Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester
CAS Number:
32117-05-8
IUPAC Name:
methyl 3-nitro-4-piperidin-1-ylbenzoate
InChI:
InChI=1S/C13H16N2O4/c1-19-13(16)10-5-6-11(12(9-10)15(17)18)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChI Key:
PACMVJMRAUYEKK-UHFFFAOYSA-N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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