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6324-10-3 | 4,5-Dibromothiophene-2-carboxylic acid
CAS No: 6324-10-3 Catalog No: AG003KHF MDL No:MFCD00039682
Product Description
Catalog Number:
AG003KHF
Chemical Name:
4,5-Dibromothiophene-2-carboxylic acid
CAS Number:
6324-10-3
Molecular Formula:
C5H2Br2O2S
Molecular Weight:
285.9412
MDL Number:
MFCD00039682
IUPAC Name:
4,5-dibromothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H2Br2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChI Key:
USFXRYVNRUMABJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(c(c1)Br)Br
EC Number:
228-683-2
NSC Number:
30091
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:
3.2
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