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Home > Bromides > 1805217-96-2
1805217-96-2 | 6-bromo-2-methoxy-1,3-benzothiazole
CAS No: 1805217-96-2 Catalog No: AG01EL5S MDL No:MFCD22491570
Product Description
Catalog Number:
AG01EL5S
Chemical Name:
6-bromo-2-methoxy-1,3-benzothiazole
CAS Number:
1805217-96-2
Molecular Formula:
C8H6BrNOS
Molecular Weight:
244.1083
MDL Number:
MFCD22491570
IUPAC Name:
6-bromo-2-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C8H6BrNOS/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,1H3
InChI Key:
NWJQRJRIBQOMCI-UHFFFAOYSA-N
SMILES:
COc1nc2c(s1)cc(cc2)Br
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.106g/mol
Monoisotopic Mass:
242.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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