Home Bromides 1020253-12-6
1020253-12-6,MFCD09972171
Catalog No.:AA0006AE
1020253-12-6 | (4-Bromo-2-fluorophenyl)(4-methoxybenzyl)sulfane
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1g
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$172.00   $120.00
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5g
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Technical Information
Catalog Number:
AA0006AE
Chemical Name:
(4-Bromo-2-fluorophenyl)(4-methoxybenzyl)sulfane
CAS Number:
1020253-12-6
Molecular Formula:
C14H12BrFOS
Molecular Weight:
327.2119
MDL Number:
MFCD09972171
IUPAC Name:
4-bromo-2-fluoro-1-[(4-methoxyphenyl)methylsulfanyl]benzene
InChI:
InChI=1S/C14H12BrFOS/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9H2,1H3
InChI Key:
XDHSLAPCAYVIAB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSc1ccc(cc1F)Br
Properties
Computed Properties
 
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.978g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.211g/mol
Monoisotopic Mass:
325.978g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

Synonyms
 
(4-BROMO-2-FLUOROPHENYL)(4-METHOXYBENZYL)SULFANE 
1020253-12-6 
RTR-000523 
TR-000523 
Z6484 
A-4172 
I01-10977 
4-bromo-2-fluoro-1-[(4-methoxyphenyl)methylsulfanyl]benzene 
4-Bromo-2-fluoro-1-{[(4-methoxyphenyl)methyl]sulfanyl}benzene 
Benzene, 4-bromo-2-fluoro-1-[[(4-methoxyphenyl)methyl]thio]- 
C14H12BrFOS 
ACMC-2097zf 
CTK4A0597 
DTXSID10674397 
ANW-14617 
MFCD09972171 
ZINC38536978 
AKOS015835508 
Literature
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