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200956-13-4

200956-13-4 | Phenol, 2-bromo-4-(trifluoromethoxy)-

CAS No: 200956-13-4 Catalog No: AG002D3G MDL No:MFCD07778431

Product Description

Catalog Number:
AG002D3G
Chemical Name:
Phenol, 2-bromo-4-(trifluoromethoxy)-
CAS Number:
200956-13-4
Molecular Formula:
C7H4BrF3O2
Molecular Weight:
257.0047
MDL Number:
MFCD07778431
IUPAC Name:
2-bromo-4-(trifluoromethoxy)phenol
InChI:
InChI=1S/C7H4BrF3O2/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3,12H
InChI Key:
YHSCBQZMCFSTGL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1Br)OC(F)(F)F

Properties

Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.935g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.006g/mol
Monoisotopic Mass:
255.935g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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