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1443347-52-1 | 1-Bromo-2-[(3,5-difluorophenyl)sulfanylmethyl]benzene
CAS No: 1443347-52-1 Catalog No: AG01EU4K MDL No:
Product Description
Catalog Number:
AG01EU4K
Chemical Name:
1-Bromo-2-[(3,5-difluorophenyl)sulfanylmethyl]benzene
CAS Number:
1443347-52-1
Molecular Formula:
C13H9BrF2S
Molecular Weight:
315.1764
IUPAC Name:
1-[(2-bromophenyl)methylsulfanyl]-3,5-difluorobenzene
InChI:
InChI=1S/C13H9BrF2S/c14-13-4-2-1-3-9(13)8-17-12-6-10(15)5-11(16)7-12/h1-7H,8H2
InChI Key:
SLTMSNYYQYEPOS-UHFFFAOYSA-N
SMILES:
Fc1cc(SCc2ccccc2Br)cc(c1)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.958g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.176g/mol
Monoisotopic Mass:
313.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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