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41772-08-1 | 4-(Difluoromethoxy)benzyl mercaptan
CAS No: 41772-08-1 Catalog No: AG01EVW3 MDL No:MFCD12026301
Product Description
Catalog Number:
AG01EVW3
Chemical Name:
4-(Difluoromethoxy)benzyl mercaptan
CAS Number:
41772-08-1
Molecular Formula:
C8H8F2OS
Molecular Weight:
190.2103
MDL Number:
MFCD12026301
IUPAC Name:
[4-(difluoromethoxy)phenyl]methanethiol
InChI:
InChI=1S/C8H8F2OS/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,8,12H,5H2
InChI Key:
KXDMFMXSCCLTRB-UHFFFAOYSA-N
SMILES:
SCc1ccc(cc1)OC(F)F
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.208g/mol
Monoisotopic Mass:
190.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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