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Home > Aldehydes > 154357-44-5
154357-44-5 | 3-trifluoromethyl-1H-5-chloropyrazole-4-Carbaldehyde
CAS No: 154357-44-5 Catalog No: AG00AS3L MDL No:
Product Description
Catalog Number:
AG00AS3L
Chemical Name:
3-trifluoromethyl-1H-5-chloropyrazole-4-Carbaldehyde
CAS Number:
154357-44-5
Molecular Formula:
C5H2ClF3N2O
Molecular Weight:
198.5304
IUPAC Name:
3-chloro-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C5H2ClF3N2O/c6-4-2(1-12)3(10-11-4)5(7,8)9/h1H,(H,10,11)
InChI Key:
ZMFPFTWZBVBKMO-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)n[nH]c1C(F)(F)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.529g/mol
Monoisotopic Mass:
197.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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