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Home > Aldehydes > 1204298-70-3
1204298-70-3 | 5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carbaldehyde
CAS No: 1204298-70-3 Catalog No: AG008UIR MDL No:
Product Description
Catalog Number:
AG008UIR
Chemical Name:
5-(difluoromethyl)-1-methyl-1h-pyrazole-4-carbaldehyde
CAS Number:
1204298-70-3
Molecular Formula:
C6H6F2N2O
Molecular Weight:
160.1214
IUPAC Name:
5-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H6F2N2O/c1-10-5(6(7)8)4(3-11)2-9-10/h2-3,6H,1H3
InChI Key:
DCRQCNPBIJQWOE-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1C(F)F)C
Properties
Complexity:
154
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:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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