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1443279-54-6 | 1-ETHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 1443279-54-6 Catalog No: AG01AOSF MDL No:MFCD25949491
Product Description
Catalog Number:
AG01AOSF
Chemical Name:
1-ETHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
1443279-54-6
Molecular Formula:
C7H7F3N2O
Molecular Weight:
192.1385
MDL Number:
MFCD25949491
IUPAC Name:
1-ethyl-5-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C7H7F3N2O/c1-2-12-6(7(8,9)10)5(4-13)3-11-12/h3-4H,2H2,1H3
InChI Key:
AYBNFDRVZYRQDT-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1C(F)(F)F)C=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.141g/mol
Monoisotopic Mass:
192.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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