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117372-49-3 | 1-(4-Bromo-phenyl)-2-(1,3-dioxolan-2-yl)-ethanone
CAS No: 117372-49-3 Catalog No: AG01EQV2 MDL No:
Product Description
Catalog Number:
AG01EQV2
Chemical Name:
1-(4-Bromo-phenyl)-2-(1,3-dioxolan-2-yl)-ethanone
CAS Number:
117372-49-3
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
IUPAC Name:
1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
InChI:
InChI=1S/C11H11BrO3/c12-9-3-1-8(2-4-9)10(13)7-11-14-5-6-15-11/h1-4,11H,5-7H2
InChI Key:
SEYZZJSEGGRCRG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)CC1OCCO1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.11g/mol
Monoisotopic Mass:
269.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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