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Home > Bromides > 1190320-78-5
1190320-78-5 | 4-Benzothiazolecarboxylic acid, 6-bromo-2-chloro-, methyl ester
CAS No: 1190320-78-5 Catalog No: AG000HYH MDL No:
Product Description
Catalog Number:
AG000HYH
Chemical Name:
4-Benzothiazolecarboxylic acid, 6-bromo-2-chloro-, methyl ester
CAS Number:
1190320-78-5
Molecular Formula:
C9H5BrClNO2S
Molecular Weight:
306.5635
IUPAC Name:
methyl 6-bromo-2-chloro-1,3-benzothiazole-4-carboxylate
InChI:
InChI=1S/C9H5BrClNO2S/c1-14-8(13)5-2-4(10)3-6-7(5)12-9(11)15-6/h2-3H,1H3
InChI Key:
CXOKUPPASJEAQR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc2c1nc(s2)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.891g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.558g/mol
Monoisotopic Mass:
304.891g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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