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124717-60-8 | 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-
CAS No: 124717-60-8 Catalog No: AG000MOJ MDL No:
Product Description
Catalog Number:
AG000MOJ
Chemical Name:
1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-
CAS Number:
124717-60-8
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
2-(3-bromo-4-methylphenyl)-1,3-dioxolane
InChI:
InChI=1S/C10H11BrO2/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h2-3,6,10H,4-5H2,1H3
InChI Key:
YTQXPAWDHPRBBM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1Br)C1OCCO1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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