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886498-29-9 | 4-Bromo-2-fluorobenzyl mercaptan
CAS No: 886498-29-9 Catalog No: AG01EYCR MDL No:MFCD06798039
Product Description
Catalog Number:
AG01EYCR
Chemical Name:
4-Bromo-2-fluorobenzyl mercaptan
CAS Number:
886498-29-9
Molecular Formula:
C7H6BrFS
Molecular Weight:
221.0899
MDL Number:
MFCD06798039
IUPAC Name:
(4-bromo-2-fluorophenyl)methanethiol
InChI:
InChI=1S/C7H6BrFS/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChI Key:
VOFLFVJFHVJJIU-UHFFFAOYSA-N
SMILES:
SCc1ccc(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:
1
Isotope Atom Count:
0
Molecular Weight:
221.087g/mol
Monoisotopic Mass:
219.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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