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13191-36-1 | Thiophene, 2,5-dibromo-3-methyl-
CAS No: 13191-36-1 Catalog No: AG000ZX5 MDL No:MFCD00015470
Product Description
Catalog Number:
AG000ZX5
Chemical Name:
Thiophene, 2,5-dibromo-3-methyl-
CAS Number:
13191-36-1
Molecular Formula:
C5H4Br2S
Molecular Weight:
255.9583
MDL Number:
MFCD00015470
IUPAC Name:
2,5-dibromo-3-methylthiophene
InChI:
InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3
InChI Key:
IHFXZROPBCBLLG-UHFFFAOYSA-N
SMILES:
Brc1sc(c(c1)C)Br
EC Number:
236-147-4
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.838g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.955g/mol
Monoisotopic Mass:
253.84g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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