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821781-54-8 | Benzothiazole, 6-bromo-2-[4-[(2-methoxyethoxy)methoxy]phenyl]-
CAS No: 821781-54-8 Catalog No: AG005IT2 MDL No:
Product Description
Catalog Number:
AG005IT2
Chemical Name:
Benzothiazole, 6-bromo-2-[4-[(2-methoxyethoxy)methoxy]phenyl]-
CAS Number:
821781-54-8
Molecular Formula:
C17H16BrNO3S
Molecular Weight:
394.2828
IUPAC Name:
6-bromo-2-[4-(2-methoxyethoxymethoxy)phenyl]-1,3-benzothiazole
InChI:
InChI=1S/C17H16BrNO3S/c1-20-8-9-21-11-22-14-5-2-12(3-6-14)17-19-15-7-4-13(18)10-16(15)23-17/h2-7,10H,8-9,11H2,1H3
InChI Key:
TWZHDQIQIFMERR-UHFFFAOYSA-N
SMILES:
COCCOCOc1ccc(cc1)c1nc2c(s1)cc(cc2)Br
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.003g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.283g/mol
Monoisotopic Mass:
393.003g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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