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Home > Fluorides > 886497-92-3
886497-92-3 | 2,5-Difluorobenzyl mercaptan
CAS No: 886497-92-3 Catalog No: AG01EYCJ MDL No:MFCD06798018
Product Description
Catalog Number:
AG01EYCJ
Chemical Name:
2,5-Difluorobenzyl mercaptan
CAS Number:
886497-92-3
Molecular Formula:
C7H6F2S
Molecular Weight:
160.1843
MDL Number:
MFCD06798018
IUPAC Name:
(2,5-difluorophenyl)methanethiol
InChI:
InChI=1S/C7H6F2S/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChI Key:
SXZSUEJZTSCAJZ-UHFFFAOYSA-N
SMILES:
SCc1cc(F)ccc1F
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.016g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.182g/mol
Monoisotopic Mass:
160.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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