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157371-80-7 | 2,4,10-Trioxatricyclo[3.3.1.13,7]decane, 3-(bromomethyl)-
CAS No: 157371-80-7 Catalog No: AG001PF2 MDL No:MFCD00077628
Product Description
Catalog Number:
AG001PF2
Chemical Name:
2,4,10-Trioxatricyclo[3.3.1.13,7]decane, 3-(bromomethyl)-
CAS Number:
157371-80-7
Molecular Formula:
C8H11BrO3
Molecular Weight:
235.0751
MDL Number:
MFCD00077628
IUPAC Name:
3-(bromomethyl)-2,4,10-trioxatricyclo[3.3.1.13,7]decane
InChI:
InChI=1S/C8H11BrO3/c9-4-8-10-5-1-6(11-8)3-7(2-5)12-8/h5-7H,1-4H2
InChI Key:
CSXFBEUWUQOEEC-UHFFFAOYSA-N
SMILES:
BrCC12OC3CC(O2)CC(O1)C3
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.077g/mol
Monoisotopic Mass:
233.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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