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221030-79-1 | (4-Bromo-2-fluorophenyl)(methyl)sulfane
CAS No: 221030-79-1 Catalog No: AG003KWX MDL No:MFCD12756455
Product Description
Catalog Number:
AG003KWX
Chemical Name:
(4-Bromo-2-fluorophenyl)(methyl)sulfane
CAS Number:
221030-79-1
Molecular Formula:
C7H6BrFS
Molecular Weight:
221.0899
MDL Number:
MFCD12756455
IUPAC Name:
4-bromo-2-fluoro-1-methylsulfanylbenzene
InChI:
InChI=1S/C7H6BrFS/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChI Key:
YHOVMTICYSGLFD-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1F)Br
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.936g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.087g/mol
Monoisotopic Mass:
219.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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