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13191-40-7 | 3-Thiophenepropanoic acid, 2,5-dibromo-
CAS No: 13191-40-7 Catalog No: AG000ZX3 MDL No:MFCD01859934
Product Description
Catalog Number:
AG000ZX3
Chemical Name:
3-Thiophenepropanoic acid, 2,5-dibromo-
CAS Number:
13191-40-7
Molecular Formula:
C7H6Br2O2S
Molecular Weight:
313.9943
MDL Number:
MFCD01859934
IUPAC Name:
3-(2,5-dibromothiophen-3-yl)propanoic acid
InChI:
InChI=1S/C7H6Br2O2S/c8-5-3-4(7(9)12-5)1-2-6(10)11/h3H,1-2H2,(H,10,11)
InChI Key:
NQBVJBLOBCBRDY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(sc1Br)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:
3.4
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