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1443347-27-0 | 1-Bromo-4-fluoro-2-[(3-chloro-5-fluorophenyl)sulfanylmethyl]benzene
CAS No: 1443347-27-0 Catalog No: AG01EU4F MDL No:
Product Description
Catalog Number:
AG01EU4F
Chemical Name:
1-Bromo-4-fluoro-2-[(3-chloro-5-fluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443347-27-0
Molecular Formula:
C13H8BrClF2S
Molecular Weight:
349.6214
IUPAC Name:
1-bromo-2-[(3-chloro-5-fluorophenyl)sulfanylmethyl]-4-fluorobenzene
InChI:
InChI=1S/C13H8BrClF2S/c14-13-2-1-10(16)3-8(13)7-18-12-5-9(15)4-11(17)6-12/h1-6H,7H2
InChI Key:
HPSJTDGVOOFXEW-UHFFFAOYSA-N
SMILES:
Fc1cc(SCc2cc(F)ccc2Br)cc(c1)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.919g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.618g/mol
Monoisotopic Mass:
347.919g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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