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102808-00-4 | 2-BENZYL-2H-PYRAZOLE-3-CARBALDEHYDE
CAS No: 102808-00-4 Catalog No: AG007J66 MDL No:MFCD09033779
Product Description
Catalog Number:
AG007J66
Chemical Name:
2-BENZYL-2H-PYRAZOLE-3-CARBALDEHYDE
CAS Number:
102808-00-4
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD09033779
IUPAC Name:
2-benzylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c14-9-11-6-7-12-13(11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key:
QVFOGVWPMHSDGJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1Cc1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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