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957354-89-1 | 3-(6-methoxynaphthalen-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS No: 957354-89-1 Catalog No: AG019XTE MDL No:MFCD05987331
Product Description
Catalog Number:
AG019XTE
Chemical Name:
3-(6-methoxynaphthalen-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
957354-89-1
Molecular Formula:
C21H16N2O2
Molecular Weight:
328.3639
MDL Number:
MFCD05987331
IUPAC Name:
3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C21H16N2O2/c1-25-20-10-9-15-11-17(8-7-16(15)12-20)21-18(14-24)13-23(22-21)19-5-3-2-4-6-19/h2-14H,1H3
InChI Key:
XXLBQGOQLUOIBS-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc2c(c1)ccc(c2)OC)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.371g/mol
Monoisotopic Mass:
328.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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