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842123-97-1 | 3'-Bromo-3-(1,3-dioxolan-2-yl)propiophenone
CAS No: 842123-97-1 Catalog No: AG01EXMI MDL No:
Product Description
Catalog Number:
AG01EXMI
Chemical Name:
3'-Bromo-3-(1,3-dioxolan-2-yl)propiophenone
CAS Number:
842123-97-1
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
IUPAC Name:
1-(3-bromophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
InChI:
InChI=1S/C12H13BrO3/c13-10-3-1-2-9(8-10)11(14)4-5-12-15-6-7-16-12/h1-3,8,12H,4-7H2
InChI Key:
GPKHKLXPRRRJLZ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)CCC1OCCO1
Properties
Complexity:
238
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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