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Home > Bromides > 1443311-46-3
1443311-46-3 | 1-Bromo-3-fluoro-4-[(3,4-difluorophenyl)sulfanylmethyl]benzene
CAS No: 1443311-46-3 Catalog No: AG01ETZ8 MDL No:
Product Description
Catalog Number:
AG01ETZ8
Chemical Name:
1-Bromo-3-fluoro-4-[(3,4-difluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443311-46-3
Molecular Formula:
C13H8BrF3S
Molecular Weight:
333.1668
IUPAC Name:
4-bromo-1-[(3,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzene
InChI:
InChI=1S/C13H8BrF3S/c14-9-2-1-8(12(16)5-9)7-18-10-3-4-11(15)13(17)6-10/h1-6H,7H2
InChI Key:
OJLNDDAYLTYINO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)CSc1ccc(c(c1)F)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.948g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.166g/mol
Monoisotopic Mass:
331.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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