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3801-47-6 | 1-Bromo-4-[(4-fluorophenyl)sulfanylmethyl]benzene
CAS No: 3801-47-6 Catalog No: AG01EVRA MDL No:
Product Description
Catalog Number:
AG01EVRA
Chemical Name:
1-Bromo-4-[(4-fluorophenyl)sulfanylmethyl]benzene
CAS Number:
3801-47-6
Molecular Formula:
C13H10BrFS
Molecular Weight:
297.1859
IUPAC Name:
1-bromo-4-[(4-fluorophenyl)sulfanylmethyl]benzene
InChI:
InChI=1S/C13H10BrFS/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2
InChI Key:
FQQGGUZGMXBDPM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SCc1ccc(cc1)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.967g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.185g/mol
Monoisotopic Mass:
295.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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