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Home > Bromides > 1443335-70-3
1443335-70-3 | 4-Bromo-3',4',5'-trifluorobenzhydrol
CAS No: 1443335-70-3 Catalog No: AG01FDL6 MDL No:
Product Description
Catalog Number:
AG01FDL6
Chemical Name:
4-Bromo-3',4',5'-trifluorobenzhydrol
CAS Number:
1443335-70-3
Molecular Formula:
C13H8BrF3O
Molecular Weight:
317.1012
IUPAC Name:
(4-bromophenyl)-(3,4,5-trifluorophenyl)methanol
InChI:
InChI=1S/C13H8BrF3O/c14-9-3-1-7(2-4-9)13(18)8-5-10(15)12(17)11(16)6-8/h1-6,13,18H
InChI Key:
SMQJBQUQPPWGDJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1cc(F)c(c(c1)F)F)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.971g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.105g/mol
Monoisotopic Mass:
315.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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