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Home > Bromides > 1024583-33-2
1024583-33-2 | 6-Benzothiazolecarboxylic acid, 2-bromo-, methyl ester
CAS No: 1024583-33-2 Catalog No: AG0007IE MDL No:MFCD16660646
Product Description
Catalog Number:
AG0007IE
Chemical Name:
6-Benzothiazolecarboxylic acid, 2-bromo-, methyl ester
CAS Number:
1024583-33-2
Molecular Formula:
C9H6BrNO2S
Molecular Weight:
272.1184
MDL Number:
MFCD16660646
IUPAC Name:
methyl 2-bromo-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C9H6BrNO2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3
InChI Key:
XYBYYJDNPLGJSA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)sc(n2)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.116g/mol
Monoisotopic Mass:
270.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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