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1244991-38-5 | Thiazolo[4,5-c]pyridine, 2-bromo-4,5,6,7-tetrahydro-5-(phenylmethyl)-
CAS No: 1244991-38-5 Catalog No: AG000M3T MDL No:MFCD17171875
Product Description
Catalog Number:
AG000M3T
Chemical Name:
Thiazolo[4,5-c]pyridine, 2-bromo-4,5,6,7-tetrahydro-5-(phenylmethyl)-
CAS Number:
1244991-38-5
Molecular Formula:
C13H13BrN2S
Molecular Weight:
309.2247
MDL Number:
MFCD17171875
IUPAC Name:
5-benzyl-2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
InChI:
InChI=1S/C13H13BrN2S/c14-13-15-11-9-16(7-6-12(11)17-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
CXYBSMFCFFLRRZ-UHFFFAOYSA-N
SMILES:
Brc1sc2c(n1)CN(CC2)Cc1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.998g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.225g/mol
Monoisotopic Mass:
307.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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