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13191-37-2 | Thiophene, 2,5-dibromo-3-(bromomethyl)-
CAS No: 13191-37-2 Catalog No: AG000ZX4 MDL No:MFCD19646963
Product Description
Catalog Number:
AG000ZX4
Chemical Name:
Thiophene, 2,5-dibromo-3-(bromomethyl)-
CAS Number:
13191-37-2
Molecular Formula:
C5H3Br3S
Molecular Weight:
334.8543
MDL Number:
MFCD19646963
IUPAC Name:
2,5-dibromo-3-(bromomethyl)thiophene
InChI:
InChI=1S/C5H3Br3S/c6-2-3-1-4(7)9-5(3)8/h1H,2H2
InChI Key:
FULQGNHFNHTPIU-UHFFFAOYSA-N
SMILES:
BrCc1cc(sc1Br)Br
Properties
Complexity:
98.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.749g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.851g/mol
Monoisotopic Mass:
331.751g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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