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1379364-95-0 | 3-Chloro-4-n-propoxyphenethyl alcohol
CAS No: 1379364-95-0 Catalog No: AG01FD3I MDL No:
Product Description
Catalog Number:
AG01FD3I
Chemical Name:
3-Chloro-4-n-propoxyphenethyl alcohol
CAS Number:
1379364-95-0
Molecular Formula:
C11H15ClO2
Molecular Weight:
214.6886
IUPAC Name:
2-(3-chloro-4-propoxyphenyl)ethanol
InChI:
InChI=1S/C11H15ClO2/c1-2-7-14-11-4-3-9(5-6-13)8-10(11)12/h3-4,8,13H,2,5-7H2,1H3
InChI Key:
KHBKWLVNNSNUAQ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1Cl)CCO
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.689g/mol
Monoisotopic Mass:
214.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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