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14556-83-3 | Thiocyanic acid, 2,5-dichloro-4-[(2-fluoroacetyl)amino]phenyl ester
CAS No: 14556-83-3 Catalog No: AG001D7B MDL No:
Product Description
Catalog Number:
AG001D7B
Chemical Name:
Thiocyanic acid, 2,5-dichloro-4-[(2-fluoroacetyl)amino]phenyl ester
CAS Number:
14556-83-3
Molecular Formula:
C9H5Cl2FN2OS
Molecular Weight:
279.1182
IUPAC Name:
[2,5-dichloro-4-[(2-fluoroacetyl)amino]phenyl] thiocyanate
InChI:
InChI=1S/C9H5Cl2FN2OS/c10-5-2-8(16-4-13)6(11)1-7(5)14-9(15)3-12/h1-2H,3H2,(H,14,15)
InChI Key:
KLATZYDCMKUTCU-UHFFFAOYSA-N
SMILES:
N#CSc1cc(Cl)c(cc1Cl)NC(=O)CF
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.948g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.11g/mol
Monoisotopic Mass:
277.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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