Home Halogens 3-(4,5-dibromothiophen-2-yl)propanoic acid

3-(4,5-dibromothiophen-2-yl)propanoic acid

CAS No.:
1594707-02-4
Catalog Number:
AG01BTJ7
Molecular Formula:
C7H6Br2O2S
Molecular Weight:
313.9943
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Product Description
Catalog Number:
AG01BTJ7
Chemical Name:
3-(4,5-dibromothiophen-2-yl)propanoic acid
CAS Number:
1594707-02-4
Molecular Formula:
C7H6Br2O2S
Molecular Weight:
313.9943
MDL Number:
MFCD30724002
IUPAC Name:
3-(4,5-dibromothiophen-2-yl)propanoic acid
InChI:
InChI=1S/C7H6Br2O2S/c8-5-3-4(12-7(5)9)1-2-6(10)11/h3H,1-2H2,(H,10,11)
InChI Key:
YQXSACKZYBGJOS-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1sc(c(c1)Br)Br
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.843g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.991g/mol
Monoisotopic Mass:
311.846g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties