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1000577-06-9 | Methyl 2-(benzylamino)-4-bromo-thiazole-5-carboxylate
CAS No: 1000577-06-9 Catalog No: AG01F84V MDL No:
Product Description
Catalog Number:
AG01F84V
Chemical Name:
Methyl 2-(benzylamino)-4-bromo-thiazole-5-carboxylate
CAS Number:
1000577-06-9
Molecular Formula:
C12H11BrN2O2S
Molecular Weight:
327.1969
IUPAC Name:
methyl 2-(benzylamino)-4-bromo-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C12H11BrN2O2S/c1-17-11(16)9-10(13)15-12(18-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
YLFKTDNOBAIQDU-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1Br)NCc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.972g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.196g/mol
Monoisotopic Mass:
325.972g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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