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16694-17-0 | 3-Thiophenecarboxylic acid, 4-bromo-
CAS No: 16694-17-0 Catalog No: AG001X0I MDL No:MFCD01233020
Product Description
Catalog Number:
AG001X0I
Chemical Name:
3-Thiophenecarboxylic acid, 4-bromo-
CAS Number:
16694-17-0
Molecular Formula:
C5H3BrO2S
Molecular Weight:
207.0451
MDL Number:
MFCD01233020
IUPAC Name:
4-bromothiophene-3-carboxylic acid
InChI:
InChI=1S/C5H3BrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)
InChI Key:
APBIZVFQQBCAAT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cscc1Br
EC Number:
240-739-8
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.904g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.041g/mol
Monoisotopic Mass:
205.904g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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