Home Other Building Blocks METHYL 4,5-DIBROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLATE

METHYL 4,5-DIBROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLATE

CAS No.:
96232-71-2
Catalog Number:
AG003RU6
Molecular Formula:
C6H4Br2O3S
Molecular Weight:
315.9672
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Product Description
Catalog Number:
AG003RU6
Chemical Name:
METHYL 4,5-DIBROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLATE
CAS Number:
96232-71-2
Molecular Formula:
C6H4Br2O3S
Molecular Weight:
315.9672
MDL Number:
MFCD00052082
IUPAC Name:
methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate
InChI:
InChI=1S/C6H4Br2O3S/c1-11-6(10)4-3(9)2(7)5(8)12-4/h9H,1H3
InChI Key:
BRIPHJFDXWRHAV-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1O)Br)Br
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.823g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.963g/mol
Monoisotopic Mass:
313.825g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties