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Home > Aldehydes > 1780568-37-7
1780568-37-7 | 1-(propan-2-yl)-4-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CAS No: 1780568-37-7 Catalog No: AG01BWHA MDL No:MFCD28546940
Product Description
Catalog Number:
AG01BWHA
Chemical Name:
1-(propan-2-yl)-4-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CAS Number:
1780568-37-7
Molecular Formula:
C8H9F3N2O
Molecular Weight:
206.1651
MDL Number:
MFCD28546940
IUPAC Name:
2-propan-2-yl-4-(trifluoromethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H9F3N2O/c1-5(2)13-7(4-14)6(3-12-13)8(9,10)11/h3-5H,1-2H3
InChI Key:
VJFORMULKPMFHX-UHFFFAOYSA-N
SMILES:
O=Cc1n(ncc1C(F)(F)F)C(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.168g/mol
Monoisotopic Mass:
206.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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