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110545-69-2 | 3-bromo-4-methoxythiophene
CAS No: 110545-69-2 Catalog No: AG01FMYQ MDL No:MFCD25955496
Product Description
Catalog Number:
AG01FMYQ
Chemical Name:
3-bromo-4-methoxythiophene
CAS Number:
110545-69-2
Molecular Formula:
C5H5BrOS
Molecular Weight:
193.0616
MDL Number:
MFCD25955496
IUPAC Name:
3-bromo-4-methoxythiophene
InChI:
InChI=1S/C5H5BrOS/c1-7-5-3-8-2-4(5)6/h2-3H,1H3
InChI Key:
QEZGHSDUCNIDFZ-UHFFFAOYSA-N
SMILES:
COc1cscc1Br
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.924g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.058g/mol
Monoisotopic Mass:
191.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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