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114233-07-7 | 1,3-Dioxolane, 4-(4-bromo-3-fluoro-2-buten-1-yl)-2,2-dimethyl-
CAS No: 114233-07-7 Catalog No: AG000AW1 MDL No:
Product Description
Catalog Number:
AG000AW1
Chemical Name:
1,3-Dioxolane, 4-(4-bromo-3-fluoro-2-buten-1-yl)-2,2-dimethyl-
CAS Number:
114233-07-7
Molecular Formula:
C9H14BrFO2
Molecular Weight:
253.1087
IUPAC Name:
4-(4-bromo-3-fluorobut-2-enyl)-2,2-dimethyl-1,3-dioxolane
InChI:
InChI=1S/C9H14BrFO2/c1-9(2)12-6-8(13-9)4-3-7(11)5-10/h3,8H,4-6H2,1-2H3
InChI Key:
FOKCQADACDCFJI-UHFFFAOYSA-N
SMILES:
BrCC(=CCC1COC(O1)(C)C)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.111g/mol
Monoisotopic Mass:
252.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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