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199536-65-7 | 2(5H)-Furanone, 4-(bromomethyl)-3-chloro-
CAS No: 199536-65-7 Catalog No: AG002C63 MDL No:
Product Description
Catalog Number:
AG002C63
Chemical Name:
2(5H)-Furanone, 4-(bromomethyl)-3-chloro-
CAS Number:
199536-65-7
Molecular Formula:
C5H4BrClO2
Molecular Weight:
211.4411
IUPAC Name:
3-(bromomethyl)-4-chloro-2H-furan-5-one
InChI:
InChI=1S/C5H4BrClO2/c6-1-3-2-9-5(8)4(3)7/h1-2H2
InChI Key:
AXFXZYOIFHVDGB-UHFFFAOYSA-N
SMILES:
BrCC1=C(Cl)C(=O)OC1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.908g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.439g/mol
Monoisotopic Mass:
209.908g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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