Home Aldehydes 1-(2,2-difluoroethyl)-1H-pyrazole-3-carbaldehyde

1-(2,2-difluoroethyl)-1H-pyrazole-3-carbaldehyde

CAS No.:
1310379-50-0
Catalog Number:
AG01EM81
Molecular Formula:
C6H6F2N2O
Molecular Weight:
160.1214
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Product Description
Catalog Number:
AG01EM81
Chemical Name:
1-(2,2-difluoroethyl)-1H-pyrazole-3-carbaldehyde
CAS Number:
1310379-50-0
Molecular Formula:
C6H6F2N2O
Molecular Weight:
160.1214
MDL Number:
MFCD20491494
IUPAC Name:
1-(2,2-difluoroethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H6F2N2O/c7-6(8)3-10-2-1-5(4-11)9-10/h1-2,4,6H,3H2
InChI Key:
YJKKBCOSEHRBQO-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(n1)CC(F)F
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.124g/mol
Monoisotopic Mass:
160.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties