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Home > Bromides > 1443336-96-6
1443336-96-6 | 1-Bromo-4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]benzene
CAS No: 1443336-96-6 Catalog No: AG01EU1T MDL No:
Product Description
Catalog Number:
AG01EU1T
Chemical Name:
1-Bromo-4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443336-96-6
Molecular Formula:
C13H9BrClFS
Molecular Weight:
331.6310
IUPAC Name:
4-[(4-bromophenyl)methylsulfanyl]-2-chloro-1-fluorobenzene
InChI:
InChI=1S/C13H9BrClFS/c14-10-3-1-9(2-4-10)8-17-11-5-6-13(16)12(15)7-11/h1-7H,8H2
InChI Key:
JTGLPODASQLSGG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CSc1ccc(c(c1)Cl)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.928g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.627g/mol
Monoisotopic Mass:
329.928g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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