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865149-70-8 | 3-(Difluoromethoxy)phenylisothiocyanate
CAS No: 865149-70-8 Catalog No: AG01EXZ9 MDL No:MFCD07432794
Product Description
Catalog Number:
AG01EXZ9
Chemical Name:
3-(Difluoromethoxy)phenylisothiocyanate
CAS Number:
865149-70-8
Molecular Formula:
C8H5F2NOS
Molecular Weight:
201.1932
MDL Number:
MFCD07432794
IUPAC Name:
1-(difluoromethoxy)-3-isothiocyanatobenzene
InChI:
InChI=1S/C8H5F2NOS/c9-8(10)12-7-3-1-2-6(4-7)11-5-13/h1-4,8H
InChI Key:
WVUHUSMEEQIPKP-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)OC(F)F
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.191g/mol
Monoisotopic Mass:
201.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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