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119015-68-8 | 2-Propanone, 1-bromo-1-(1,3-dioxolan-2-yl)-
CAS No: 119015-68-8 Catalog No: AG000P1X MDL No:
Product Description
Catalog Number:
AG000P1X
Chemical Name:
2-Propanone, 1-bromo-1-(1,3-dioxolan-2-yl)-
CAS Number:
119015-68-8
Molecular Formula:
C6H9BrO3
Molecular Weight:
209.0379
IUPAC Name:
1-bromo-1-(1,3-dioxolan-2-yl)propan-2-one
InChI:
InChI=1S/C6H9BrO3/c1-4(8)5(7)6-9-2-3-10-6/h5-6H,2-3H2,1H3
InChI Key:
QYSXATPOCQLJRQ-UHFFFAOYSA-N
SMILES:
BrC(C1OCCO1)C(=O)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.974g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.039g/mol
Monoisotopic Mass:
207.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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