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20627-04-7 | 2-Furancarboxaldehyde, 4-bromo-5-methyl-
CAS No: 20627-04-7 Catalog No: AG002IE7 MDL No:
Product Description
Catalog Number:
AG002IE7
Chemical Name:
2-Furancarboxaldehyde, 4-bromo-5-methyl-
CAS Number:
20627-04-7
Molecular Formula:
C6H5BrO2
Molecular Weight:
189.0067
IUPAC Name:
4-bromo-5-methylfuran-2-carbaldehyde
InChI:
InChI=1S/C6H5BrO2/c1-4-6(7)2-5(3-8)9-4/h2-3H,1H3
InChI Key:
ABSGBYBACFSCEK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(o1)C)Br
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.947g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.008g/mol
Monoisotopic Mass:
187.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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