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99765-52-3 | 2-{[2-(chloromethyl)benzyl]oxy}-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
CAS No: 99765-52-3 Catalog No: AG003W2E MDL No:
Product Description
Catalog Number:
AG003W2E
Chemical Name:
2-{[2-(chloromethyl)benzyl]oxy}-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
CAS Number:
99765-52-3
Molecular Formula:
C18H25ClO2
Molecular Weight:
308.8429
IUPAC Name:
2-[[2-(chloromethyl)phenyl]methoxy]-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
InChI:
InChI=1S/C18H25ClO2/c1-13(2)18-9-8-17(3,21-18)16(10-18)20-12-15-7-5-4-6-14(15)11-19/h4-7,13,16H,8-12H2,1-3H3
InChI Key:
OHJOWHCKKYMCEA-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1COC1CC2(OC1(C)CC2)C(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.846g/mol
Monoisotopic Mass:
308.154g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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