Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, methyl ester


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, methyl ester
CAS Number: 7312-11-0
Product Number: AG005FXD(AGN-PC-0KLR3P)
Synonyms:
MDL No:
Molecular Formula: C10H7BrO2S
Molecular Weight: 271.1304

Identification/Properties


Properties
MP:
110 °C
BP:
358.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
271.128g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
269.935g/mol
Monoisotopic Mass:
269.935g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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