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Home > Aldehydes > 1015846-03-3
1015846-03-3 | Benzaldehyde, 4-[[6-(1H-pyrazol-1-yl)-4-pyrimidinyl]oxy]-
CAS No: 1015846-03-3 Catalog No: AG0004W4 MDL No:MFCD00299070
Product Description
Catalog Number:
AG0004W4
Chemical Name:
Benzaldehyde, 4-[[6-(1H-pyrazol-1-yl)-4-pyrimidinyl]oxy]-
CAS Number:
1015846-03-3
Molecular Formula:
C14H10N4O2
Molecular Weight:
266.2548
MDL Number:
MFCD00299070
IUPAC Name:
4-(6-pyrazol-1-ylpyrimidin-4-yl)oxybenzaldehyde
InChI:
InChI=1S/C14H10N4O2/c19-9-11-2-4-12(5-3-11)20-14-8-13(15-10-16-14)18-7-1-6-17-18/h1-10H
InChI Key:
WBGLNODRVAPPED-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Oc1ncnc(c1)n1cccn1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.26g/mol
Monoisotopic Mass:
266.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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