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301334-92-9 | Benzaldehyde,4-[4-(2-methoxyphenyl)-1-piperidinyl]-3-nitro-
CAS No: 301334-92-9 Catalog No: AG007JHM MDL No:MFCD01314135
Product Description
Catalog Number:
AG007JHM
Chemical Name:
Benzaldehyde,4-[4-(2-methoxyphenyl)-1-piperidinyl]-3-nitro-
CAS Number:
301334-92-9
Molecular Formula:
C19H20N2O4
Molecular Weight:
340.3731
MDL Number:
MFCD01314135
IUPAC Name:
4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrobenzaldehyde
InChI:
InChI=1S/C19H20N2O4/c1-25-19-5-3-2-4-16(19)15-8-10-20(11-9-15)17-7-6-14(13-22)12-18(17)21(23)24/h2-7,12-13,15H,8-11H2,1H3
InChI Key:
XFWTTYDGWHAYGZ-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C=O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.379g/mol
Monoisotopic Mass:
340.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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