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114430-54-5 | Ethanone, 1-[5-(bromomethyl)-2-furanyl]-
CAS No: 114430-54-5 Catalog No: AG000BC4 MDL No:
Product Description
Catalog Number:
AG000BC4
Chemical Name:
Ethanone, 1-[5-(bromomethyl)-2-furanyl]-
CAS Number:
114430-54-5
Molecular Formula:
C7H7BrO2
Molecular Weight:
203.0333
IUPAC Name:
1-[5-(bromomethyl)furan-2-yl]ethanone
InChI:
InChI=1S/C7H7BrO2/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,4H2,1H3
InChI Key:
RFQOTGIEKIHZRY-UHFFFAOYSA-N
SMILES:
BrCc1ccc(o1)C(=O)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.963g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.035g/mol
Monoisotopic Mass:
201.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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