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177952-39-5

177952-39-5 | Benzeneacetic acid, 2,4-bis(trifluoromethyl)-

CAS No: 177952-39-5 Catalog No: AG0025NK MDL No:MFCD00042492

Product Description

Catalog Number:
AG0025NK
Chemical Name:
Benzeneacetic acid, 2,4-bis(trifluoromethyl)-
CAS Number:
177952-39-5
Molecular Formula:
C10H6F6O2
Molecular Weight:
272.1439
MDL Number:
MFCD00042492
IUPAC Name:
2-[2,4-bis(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(3-8(17)18)7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
InChI Key:
BCHGLBXVODTIEE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1C(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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