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1261778-13-5 | Benzeneacetic acid, 5-iodo-2-(trifluoromethyl)-
CAS No: 1261778-13-5 Catalog No: AG000S0F MDL No:
Product Description
Catalog Number:
AG000S0F
Chemical Name:
Benzeneacetic acid, 5-iodo-2-(trifluoromethyl)-
CAS Number:
1261778-13-5
Molecular Formula:
C9H6F3IO2
Molecular Weight:
330.0424
IUPAC Name:
2-[5-iodo-2-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H6F3IO2/c10-9(11,12)7-2-1-6(13)3-5(7)4-8(14)15/h1-3H,4H2,(H,14,15)
InChI Key:
BWXHRPKBEKPIHY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(I)ccc1C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.936g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.045g/mol
Monoisotopic Mass:
329.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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