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1443351-63-0 | 3-Bromo-3',4',5'-trifluorobenzhydrol
CAS No: 1443351-63-0 Catalog No: AG01FDMI MDL No:
Product Description
Catalog Number:
AG01FDMI
Chemical Name:
3-Bromo-3',4',5'-trifluorobenzhydrol
CAS Number:
1443351-63-0
Molecular Formula:
C13H8BrF3O
Molecular Weight:
317.1012
IUPAC Name:
(3-bromophenyl)-(3,4,5-trifluorophenyl)methanol
InChI:
InChI=1S/C13H8BrF3O/c14-9-3-1-2-7(4-9)13(18)8-5-10(15)12(17)11(16)6-8/h1-6,13,18H
InChI Key:
PGXJCZZXUPZGLM-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1cc(F)c(c(c1)F)F)O
Properties
Complexity:
267
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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