Home Aldehydes 4-[3-(propan-2-yl)-1H-pyrazol-1-yl]benzaldehyde

4-[3-(propan-2-yl)-1H-pyrazol-1-yl]benzaldehyde

CAS No.:
1249939-76-1
Catalog Number:
AG01DYLJ
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
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Product Description
Catalog Number:
AG01DYLJ
Chemical Name:
4-[3-(propan-2-yl)-1H-pyrazol-1-yl]benzaldehyde
CAS Number:
1249939-76-1
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD16778540
IUPAC Name:
4-(3-propan-2-ylpyrazol-1-yl)benzaldehyde
InChI:
InChI=1S/C13H14N2O/c1-10(2)13-7-8-15(14-13)12-5-3-11(9-16)4-6-12/h3-10H,1-2H3
InChI Key:
KNNGMTYDZDERFE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1ccc(n1)C(C)C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties