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72899-51-5 | 3-Thiophenecarbonylchloride, 4-bromo-
CAS No: 72899-51-5 Catalog No: AG005E01 MDL No:
Product Description
Catalog Number:
AG005E01
Chemical Name:
3-Thiophenecarbonylchloride, 4-bromo-
CAS Number:
72899-51-5
Molecular Formula:
C5H2BrClOS
Molecular Weight:
225.4908
IUPAC Name:
4-bromothiophene-3-carbonyl chloride
InChI:
InChI=1S/C5H2BrClOS/c6-4-2-9-1-3(4)5(7)8/h1-2H
InChI Key:
RAEMKVHFZZHQSI-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cscc1Br
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.87g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.484g/mol
Monoisotopic Mass:
223.87g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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