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1443352-36-0 | 2-n-Butoxy-5-chlorophenethyl alcohol
CAS No: 1443352-36-0 Catalog No: AG01FDML MDL No:
Product Description
Catalog Number:
AG01FDML
Chemical Name:
2-n-Butoxy-5-chlorophenethyl alcohol
CAS Number:
1443352-36-0
Molecular Formula:
C12H17ClO2
Molecular Weight:
228.7152
IUPAC Name:
2-(2-butoxy-5-chlorophenyl)ethanol
InChI:
InChI=1S/C12H17ClO2/c1-2-3-8-15-12-5-4-11(13)9-10(12)6-7-14/h4-5,9,14H,2-3,6-8H2,1H3
InChI Key:
FBQDXKXIRCFRGQ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1CCO)Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.716g/mol
Monoisotopic Mass:
228.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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