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1000574-84-4 | 2-Bromo-4-(difluoromethoxy)phenylisothiocyanate
CAS No: 1000574-84-4 Catalog No: AG01F2TA MDL No:MFCD09878207
Product Description
Catalog Number:
AG01F2TA
Chemical Name:
2-Bromo-4-(difluoromethoxy)phenylisothiocyanate
CAS Number:
1000574-84-4
Molecular Formula:
C8H4BrF2NOS
Molecular Weight:
280.0893
MDL Number:
MFCD09878207
IUPAC Name:
2-bromo-4-(difluoromethoxy)-1-isothiocyanatobenzene
InChI:
InChI=1S/C8H4BrF2NOS/c9-6-3-5(13-8(10)11)1-2-7(6)12-4-14/h1-3,8H
InChI Key:
IFYYGGXUAKYACG-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Br)OC(F)F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.917g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.087g/mol
Monoisotopic Mass:
278.917g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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