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Home > Bromides > 1614825-46-5
1614825-46-5 | 3-Thiophenecarboxylic acid, 2-bromo-, 1,1-dimethylethyl ester
CAS No: 1614825-46-5 Catalog No: AG001SHN MDL No:
Product Description
Catalog Number:
AG001SHN
Chemical Name:
3-Thiophenecarboxylic acid, 2-bromo-, 1,1-dimethylethyl ester
CAS Number:
1614825-46-5
Molecular Formula:
C9H11BrO2S
Molecular Weight:
263.1514
IUPAC Name:
tert-butyl 2-bromothiophene-3-carboxylate
InChI:
InChI=1S/C9H11BrO2S/c1-9(2,3)12-8(11)6-4-5-13-7(6)10/h4-5H,1-3H3
InChI Key:
DOOIERJVUXCZMK-UHFFFAOYSA-N
SMILES:
O=C(c1ccsc1Br)OC(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.966g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.149g/mol
Monoisotopic Mass:
261.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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