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14203-24-8 | 1,3-Cyclopentanedione, 2-bromo-
CAS No: 14203-24-8 Catalog No: AG001HLH MDL No:MFCD12827833
Product Description
Catalog Number:
AG001HLH
Chemical Name:
1,3-Cyclopentanedione, 2-bromo-
CAS Number:
14203-24-8
Molecular Formula:
C5H5BrO2
Molecular Weight:
176.9960
MDL Number:
MFCD12827833
IUPAC Name:
2-bromocyclopentane-1,3-dione
InChI:
InChI=1S/C5H5BrO2/c6-5-3(7)1-2-4(5)8/h5H,1-2H2
InChI Key:
ROZCQYLERXSBBC-UHFFFAOYSA-N
SMILES:
BrC1C(=O)CCC1=O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.947g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.997g/mol
Monoisotopic Mass:
175.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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