Home Other Building Blocks 2-[2-METHYL-4-(TRIFLUOROMETHYL)FURAN-3-YL]ACETIC ACID

2-[2-METHYL-4-(TRIFLUOROMETHYL)FURAN-3-YL]ACETIC ACID

CAS No.:
1368346-53-5
Catalog Number:
AG01DVXY
Molecular Formula:
C8H7F3O3
Molecular Weight:
208.1346
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Product Description
Catalog Number:
AG01DVXY
Chemical Name:
2-[2-METHYL-4-(TRIFLUOROMETHYL)FURAN-3-YL]ACETIC ACID
CAS Number:
1368346-53-5
Molecular Formula:
C8H7F3O3
Molecular Weight:
208.1346
MDL Number:
MFCD22040633
IUPAC Name:
2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetic acid
InChI:
InChI=1S/C8H7F3O3/c1-4-5(2-7(12)13)6(3-14-4)8(9,10)11/h3H,2H2,1H3,(H,12,13)
InChI Key:
NCEANSIKJITNCQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)occ1C(F)(F)F
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.136g/mol
Monoisotopic Mass:
208.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties