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131533-07-8 | Acetic acid, 2-[(5-amino-2-chloro-4-fluorophenyl)thio]-, methyl ester
CAS No: 131533-07-8 Catalog No: AG000ZCH MDL No:
Product Description
Catalog Number:
AG000ZCH
Chemical Name:
Acetic acid, 2-[(5-amino-2-chloro-4-fluorophenyl)thio]-, methyl ester
CAS Number:
131533-07-8
Molecular Formula:
C9H9ClFNO2S
Molecular Weight:
249.6897
IUPAC Name:
methyl 2-(5-amino-2-chloro-4-fluorophenyl)sulfanylacetate
InChI:
InChI=1S/C9H9ClFNO2S/c1-14-9(13)4-15-8-3-7(12)6(11)2-5(8)10/h2-3H,4,12H2,1H3
InChI Key:
AWGBZZXOIDGMDJ-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1cc(N)c(cc1Cl)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.684g/mol
Monoisotopic Mass:
249.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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