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Home > Bromides > 1281219-33-7
1281219-33-7 | 1-Bromo-3-[(3,4-difluorophenyl)sulfanylmethyl]benzene
CAS No: 1281219-33-7 Catalog No: AG01ERMV MDL No:
Product Description
Catalog Number:
AG01ERMV
Chemical Name:
1-Bromo-3-[(3,4-difluorophenyl)sulfanylmethyl]benzene
CAS Number:
1281219-33-7
Molecular Formula:
C13H9BrF2S
Molecular Weight:
315.1764
IUPAC Name:
4-[(3-bromophenyl)methylsulfanyl]-1,2-difluorobenzene
InChI:
InChI=1S/C13H9BrF2S/c14-10-3-1-2-9(6-10)8-17-11-4-5-12(15)13(16)7-11/h1-7H,8H2
InChI Key:
OZULVRCSPQNBDZ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CSc1ccc(c(c1)F)F
Properties
Complexity:
240
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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