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101079-66-7 | 3-Thiophenecarboxylic acid, 4,5-dibromo-
CAS No: 101079-66-7 Catalog No: AG0003NV MDL No:MFCD01006724
Product Description
Catalog Number:
AG0003NV
Chemical Name:
3-Thiophenecarboxylic acid, 4,5-dibromo-
CAS Number:
101079-66-7
Molecular Formula:
C5H2Br2O2S
Molecular Weight:
285.9412
MDL Number:
MFCD01006724
IUPAC Name:
4,5-dibromothiophene-3-carboxylic acid
InChI:
InChI=1S/C5H2Br2O2S/c6-3-2(5(8)9)1-10-4(3)7/h1H,(H,8,9)
InChI Key:
ARYZJCDPKDFHPT-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(c1Br)Br
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.812g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.937g/mol
Monoisotopic Mass:
283.814g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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