Home Other Building Blocks 1-(3-Bromophenyl)-2,2,2-trifluoroethanol

1-(3-Bromophenyl)-2,2,2-trifluoroethanol

CAS No.:
446-63-9
Catalog Number:
AG003A5A
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
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Product Description
Catalog Number:
AG003A5A
Chemical Name:
1-(3-Bromophenyl)-2,2,2-trifluoroethanol
CAS Number:
446-63-9
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
IUPAC Name:
1-(3-bromophenyl)-2,2,2-trifluoroethanol
InChI:
InChI=1S/C8H6BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
InChI Key:
YJAXYKDDEAMXAW-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(C(F)(F)F)O
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties