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Home > Bromides > 1443352-13-3
1443352-13-3 | 3-Bromo-3'-fluoro-4'-methylbenzhydrol
CAS No: 1443352-13-3 Catalog No: AG01FD7K MDL No:
Product Description
Catalog Number:
AG01FD7K
Chemical Name:
3-Bromo-3'-fluoro-4'-methylbenzhydrol
CAS Number:
1443352-13-3
Molecular Formula:
C14H12BrFO
Molecular Weight:
295.1469
IUPAC Name:
(3-bromophenyl)-(3-fluoro-4-methylphenyl)methanol
InChI:
InChI=1S/C14H12BrFO/c1-9-5-6-11(8-13(9)16)14(17)10-3-2-4-12(15)7-10/h2-8,14,17H,1H3
InChI Key:
ISIAWCDUWMWLRK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1ccc(c(c1)F)C)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.151g/mol
Monoisotopic Mass:
294.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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