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1799434-62-0 | 2-Thiophenecarboxylic acid, 5-(2-bromoethyl)-
CAS No: 1799434-62-0 Catalog No: AG0021IG MDL No:
Product Description
Catalog Number:
AG0021IG
Chemical Name:
2-Thiophenecarboxylic acid, 5-(2-bromoethyl)-
CAS Number:
1799434-62-0
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
IUPAC Name:
5-(2-bromoethyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C7H7BrO2S/c8-4-3-5-1-2-6(11-5)7(9)10/h1-2H,3-4H2,(H,9,10)
InChI Key:
TUACROSILUPTOJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)CCBr
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.935g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.095g/mol
Monoisotopic Mass:
233.935g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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