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Home > Bromides > 1214385-56-4
1214385-56-4 | Phenol, 3-bromo-4-(trifluoromethyl)-
CAS No: 1214385-56-4 Catalog No: AG0014YE MDL No:MFCD13194488
Product Description
Catalog Number:
AG0014YE
Chemical Name:
Phenol, 3-bromo-4-(trifluoromethyl)-
CAS Number:
1214385-56-4
Molecular Formula:
C7H4BrF3O
Molecular Weight:
241.0053
MDL Number:
MFCD13194488
IUPAC Name:
3-bromo-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4BrF3O/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3,12H
InChI Key:
YWJMFYOMJODKJY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Br)C(F)(F)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.007g/mol
Monoisotopic Mass:
239.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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