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842123-96-0 | 4'-Bromo-3-(1,3-dioxolan-2-yl)propiophenone
CAS No: 842123-96-0 Catalog No: AG01EXMH MDL No:
Product Description
Catalog Number:
AG01EXMH
Chemical Name:
4'-Bromo-3-(1,3-dioxolan-2-yl)propiophenone
CAS Number:
842123-96-0
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
IUPAC Name:
1-(4-bromophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
InChI:
InChI=1S/C12H13BrO3/c13-10-3-1-9(2-4-10)11(14)5-6-12-15-7-8-16-12/h1-4,12H,5-8H2
InChI Key:
QCCDIJQOBHCXOJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)CCC1OCCO1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.137g/mol
Monoisotopic Mass:
284.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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