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302912-02-3 | Benzeneacetic acid, 2,5-bis(trifluoromethyl)-
CAS No: 302912-02-3 Catalog No: AG002ZHF MDL No:MFCD01321246
Product Description
Catalog Number:
AG002ZHF
Chemical Name:
Benzeneacetic acid, 2,5-bis(trifluoromethyl)-
CAS Number:
302912-02-3
Molecular Formula:
C10H6F6O2
Molecular Weight:
272.1439
MDL Number:
MFCD01321246
IUPAC Name:
2-[2,5-bis(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H6F6O2/c11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18)
InChI Key:
AWTNYFICBCCTBY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(ccc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.146g/mol
Monoisotopic Mass:
272.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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