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1160573-84-1 | Ethyl 4-Methyl-2-(3-bromophenyl)thiazole-5-carboxylate
CAS No: 1160573-84-1 Catalog No: AG01F7W7 MDL No:MFCD11845861
Product Description
Catalog Number:
AG01F7W7
Chemical Name:
Ethyl 4-Methyl-2-(3-bromophenyl)thiazole-5-carboxylate
CAS Number:
1160573-84-1
Molecular Formula:
C13H12BrNO2S
Molecular Weight:
326.2089
MDL Number:
MFCD11845861
IUPAC Name:
ethyl 2-(3-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C13H12BrNO2S/c1-3-17-13(16)11-8(2)15-12(18-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3
InChI Key:
FUAHKQKCODAWRN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)c1cccc(c1)Br
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.977g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.208g/mol
Monoisotopic Mass:
324.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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