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162848-22-8 | 3-Thiophenecarbonyl chloride, 5-bromo-4-methoxy-
CAS No: 162848-22-8 Catalog No: AG001TH8 MDL No:
Product Description
Catalog Number:
AG001TH8
Chemical Name:
3-Thiophenecarbonyl chloride, 5-bromo-4-methoxy-
CAS Number:
162848-22-8
Molecular Formula:
C6H4BrClO2S
Molecular Weight:
255.5168
IUPAC Name:
5-bromo-4-methoxythiophene-3-carbonyl chloride
InChI:
InChI=1S/C6H4BrClO2S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3
InChI Key:
XJAKJJYSTWMFHS-UHFFFAOYSA-N
SMILES:
COc1c(Br)scc1C(=O)Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.88g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.51g/mol
Monoisotopic Mass:
253.88g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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