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1000577-46-7 | Methyl 4-bromo-2-(3-chlorophenoxy)thiazole-5-carboxylate
CAS No: 1000577-46-7 Catalog No: AG01F7DV MDL No:
Product Description
Catalog Number:
AG01F7DV
Chemical Name:
Methyl 4-bromo-2-(3-chlorophenoxy)thiazole-5-carboxylate
CAS Number:
1000577-46-7
Molecular Formula:
C11H7BrClNO3S
Molecular Weight:
348.6002
IUPAC Name:
methyl 4-bromo-2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C11H7BrClNO3S/c1-16-10(15)8-9(12)14-11(18-8)17-7-4-2-3-6(13)5-7/h2-5H,1H3
InChI Key:
XUTPPEITEQKLTR-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1Br)Oc1cccc(c1)Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.902g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.595g/mol
Monoisotopic Mass:
346.902g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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