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108338-20-1 | 2-(Trifluoromethyl)isonicotinaldehyde
CAS No: 108338-20-1 Catalog No: AG007UU2 MDL No:MFCD06410678
Product Description
Catalog Number:
AG007UU2
Chemical Name:
2-(Trifluoromethyl)isonicotinaldehyde
CAS Number:
108338-20-1
Molecular Formula:
C7H4F3NO
Molecular Weight:
175.1080
MDL Number:
MFCD06410678
IUPAC Name:
2-(trifluoromethyl)pyridine-4-carbaldehyde
InChI:
InChI=1S/C7H4F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-4H
InChI Key:
CBHUHUQPLDWHIO-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(c1)C(F)(F)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.11g/mol
Monoisotopic Mass:
175.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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