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Home > Fluorides > 1053656-28-2
1053656-28-2 | 3-Cyano-5-methyl-2-(trifluoromethyl)furan
CAS No: 1053656-28-2 Catalog No: AG01FBGK MDL No:MFCD00525589
Product Description
Catalog Number:
AG01FBGK
Chemical Name:
3-Cyano-5-methyl-2-(trifluoromethyl)furan
CAS Number:
1053656-28-2
Molecular Formula:
C7H4F3NO
Molecular Weight:
175.1080
MDL Number:
MFCD00525589
IUPAC Name:
5-methyl-2-(trifluoromethyl)furan-3-carbonitrile
InChI:
InChI=1S/C7H4F3NO/c1-4-2-5(3-11)6(12-4)7(8,9)10/h2H,1H3
InChI Key:
ZFKFQTLEWGHSMX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(oc1C(F)(F)F)C
Properties
Complexity:
216
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:
0
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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