Benzaldehyde, 2-(1H-pyrazol-1-yl)-


Chemical Name: Benzaldehyde, 2-(1H-pyrazol-1-yl)-
CAS Number: 138479-47-7
Product Number: AG00198B(AGN-PC-0JYO4H)
Synonyms:
MDL No:
Molecular Formula: C10H8N2O
Molecular Weight: 172.1833

Identification/Properties


Computed Properties
Molecular Weight:
172.187g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
172.064g/mol
Monoisotopic Mass:
172.064g/mol
Topological Polar Surface Area:
34.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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