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2060053-47-4 | 5-bromo-4-(1,3-dioxolan-2-yl)thiophene-2-carbaldehyde
CAS No: 2060053-47-4 Catalog No: AG01C0M1 MDL No:MFCD30498063
Product Description
Catalog Number:
AG01C0M1
Chemical Name:
5-bromo-4-(1,3-dioxolan-2-yl)thiophene-2-carbaldehyde
CAS Number:
2060053-47-4
Molecular Formula:
C8H7BrO3S
Molecular Weight:
263.1084
MDL Number:
MFCD30498063
IUPAC Name:
5-bromo-4-(1,3-dioxolan-2-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C8H7BrO3S/c9-7-6(3-5(4-10)13-7)8-11-1-2-12-8/h3-4,8H,1-2H2
InChI Key:
ZRGTUVJISXTGGX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(s1)Br)C1OCCO1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.93g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.105g/mol
Monoisotopic Mass:
261.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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