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Home Halogens Methyl 5-bromo-1-benzothiophene-2-carboxylate

Methyl 5-bromo-1-benzothiophene-2-carboxylate

CAS No.:
7312-11-0
Catalog Number:
AG005FXD
Molecular Formula:
C10H7BrO2S
Molecular Weight:
271.1304
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$73
- +
5g
98%
In Stock USA
United States
$223
- +
10g
98%
In Stock USA
United States
$362
- +
25g
98%
In Stock USA
United States
$663
- +
100g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG005FXD
Chemical Name:
Methyl 5-bromo-1-benzothiophene-2-carboxylate
CAS Number:
7312-11-0
Molecular Formula:
C10H7BrO2S
Molecular Weight:
271.1304
MDL Number:
MFCD05662034
IUPAC Name:
methyl 5-bromo-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7BrO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
InChI Key:
XDYVZHUZZZKQOS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)ccc(c2)Br
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.935g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.128g/mol
Monoisotopic Mass:
269.935g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties