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885279-61-8 | 2-(4-Bromophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
CAS No: 885279-61-8 Catalog No: AG0047AI MDL No:MFCD06739279
Product Description
Catalog Number:
AG0047AI
Chemical Name:
2-(4-Bromophenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
CAS Number:
885279-61-8
Molecular Formula:
C12H11BrN2S
Molecular Weight:
295.1981
MDL Number:
MFCD06739279
IUPAC Name:
2-(4-bromophenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
InChI:
InChI=1S/C12H11BrN2S/c13-9-3-1-8(2-4-9)12-15-10-5-6-14-7-11(10)16-12/h1-4,14H,5-7H2
InChI Key:
DJBBHLWKRYLCTG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2c(s1)CNCC2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.983g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.198g/mol
Monoisotopic Mass:
293.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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