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1208076-78-1 | 2-Bromo-4-fluoro-6-methylbenzenethiol
CAS No: 1208076-78-1 Catalog No: AG01FCYR MDL No:MFCD12026177
Product Description
Catalog Number:
AG01FCYR
Chemical Name:
2-Bromo-4-fluoro-6-methylbenzenethiol
CAS Number:
1208076-78-1
Molecular Formula:
C7H6BrFS
Molecular Weight:
221.0899
MDL Number:
MFCD12026177
IUPAC Name:
2-bromo-4-fluoro-6-methylbenzenethiol
InChI:
InChI=1S/C7H6BrFS/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3
InChI Key:
ITBKVQWFSQIBQN-UHFFFAOYSA-N
SMILES:
Fc1cc(C)c(c(c1)Br)S
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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