Home Halogens 2-(2-bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

2-(2-bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one

CAS No.:
1308647-56-4
Catalog Number:
AG01ABIP
Molecular Formula:
C13H10BrNOS
Molecular Weight:
308.1936
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Product Description
Catalog Number:
AG01ABIP
Chemical Name:
2-(2-bromophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
CAS Number:
1308647-56-4
Molecular Formula:
C13H10BrNOS
Molecular Weight:
308.1936
MDL Number:
MFCD17026655
IUPAC Name:
2-(2-bromophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
InChI:
InChI=1S/C13H10BrNOS/c14-9-5-2-1-4-8(9)13-15-10-6-3-7-11(16)12(10)17-13/h1-2,4-5H,3,6-7H2
InChI Key:
KFMDXWVXJKARCP-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1nc2c(s1)C(=O)CCC2
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.967g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.193g/mol
Monoisotopic Mass:
306.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties