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1150114-25-2 | Thiocyanic acid, 4-amino-2,5-difluorophenyl ester, hydrochloride (1:1)
CAS No: 1150114-25-2 Catalog No: AG000FLY MDL No:MFCD11855821
Product Description
Catalog Number:
AG000FLY
Chemical Name:
Thiocyanic acid, 4-amino-2,5-difluorophenyl ester, hydrochloride (1:1)
CAS Number:
1150114-25-2
Molecular Formula:
C7H5ClF2N2S
Molecular Weight:
222.6428
MDL Number:
MFCD11855821
IUPAC Name:
(4-amino-2,5-difluorophenyl) thiocyanate;hydrochloride
InChI:
InChI=1S/C7H4F2N2S.ClH/c8-4-2-7(12-3-10)5(9)1-6(4)11;/h1-2H,11H2;1H
InChI Key:
JHSXQAMCTCNIDG-UHFFFAOYSA-N
SMILES:
N#CSc1cc(F)c(cc1F)N.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.638g/mol
Monoisotopic Mass:
221.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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