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175137-42-5 | 2-Thiophenecarboxylic acid, 4,5-dibromo-3-methoxy-, methyl ester
CAS No: 175137-42-5 Catalog No: AG0020BT MDL No:MFCD00205190
Product Description
Catalog Number:
AG0020BT
Chemical Name:
2-Thiophenecarboxylic acid, 4,5-dibromo-3-methoxy-, methyl ester
CAS Number:
175137-42-5
Molecular Formula:
C7H6Br2O3S
Molecular Weight:
329.9937
MDL Number:
MFCD00205190
IUPAC Name:
methyl 4,5-dibromo-3-methoxythiophene-2-carboxylate
InChI:
InChI=1S/C7H6Br2O3S/c1-11-4-3(8)6(9)13-5(4)7(10)12-2/h1-2H3
InChI Key:
RDCDDWLASWJAGM-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1OC)Br)Br
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.838g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.99g/mol
Monoisotopic Mass:
327.84g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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