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898785-66-5 | 2'-Bromo-3-(1,3-dioxan-2-yl)propiophenone
CAS No: 898785-66-5 Catalog No: AG01EYXI MDL No:
Product Description
Catalog Number:
AG01EYXI
Chemical Name:
2'-Bromo-3-(1,3-dioxan-2-yl)propiophenone
CAS Number:
898785-66-5
Molecular Formula:
C13H15BrO3
Molecular Weight:
299.1604
IUPAC Name:
1-(2-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
InChI:
InChI=1S/C13H15BrO3/c14-11-5-2-1-4-10(11)12(15)6-7-13-16-8-3-9-17-13/h1-2,4-5,13H,3,6-9H2
InChI Key:
XFHFKXRMEMGARU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Br)CCC1OCCCO1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.02g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.164g/mol
Monoisotopic Mass:
298.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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