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1000575-48-3 | Methyl 4-bromo-2-(diethylamino)thiazole-5-carboxylate
CAS No: 1000575-48-3 Catalog No: AG01F84S MDL No:
Product Description
Catalog Number:
AG01F84S
Chemical Name:
Methyl 4-bromo-2-(diethylamino)thiazole-5-carboxylate
CAS Number:
1000575-48-3
Molecular Formula:
C9H13BrN2O2S
Molecular Weight:
293.1807
IUPAC Name:
methyl 4-bromo-2-(diethylamino)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C9H13BrN2O2S/c1-4-12(5-2)9-11-7(10)6(15-9)8(13)14-3/h4-5H2,1-3H3
InChI Key:
QEYFPRKLPCOIBD-UHFFFAOYSA-N
SMILES:
CCN(c1nc(c(s1)C(=O)OC)Br)CC
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.988g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.179g/mol
Monoisotopic Mass:
291.988g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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