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108404-38-2 | 5-Bromo-2-fluoro-4-methyl-benzenethiol
CAS No: 108404-38-2 Catalog No: AG01FCIK MDL No:MFCD28134442
Product Description
Catalog Number:
AG01FCIK
Chemical Name:
5-Bromo-2-fluoro-4-methyl-benzenethiol
CAS Number:
108404-38-2
Molecular Formula:
C7H6BrFS
Molecular Weight:
221.0899
MDL Number:
MFCD28134442
IUPAC Name:
5-bromo-2-fluoro-4-methylbenzenethiol
InChI:
InChI=1S/C7H6BrFS/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3
InChI Key:
UTSBLWIGGQONHJ-UHFFFAOYSA-N
SMILES:
Brc1cc(S)c(cc1C)F
Properties
Complexity:
120
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:
1
Isotope Atom Count:
0
Molecular Weight:
221.087g/mol
Monoisotopic Mass:
219.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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