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89448-65-7 | 1-Propanol, 3-(4-chlorobutoxy)-2-(phenylmethoxy)-
CAS No: 89448-65-7 Catalog No: AG0044EO MDL No:
Product Description
Catalog Number:
AG0044EO
Chemical Name:
1-Propanol, 3-(4-chlorobutoxy)-2-(phenylmethoxy)-
CAS Number:
89448-65-7
Molecular Formula:
C14H21ClO3
Molecular Weight:
272.7677
IUPAC Name:
3-(4-chlorobutoxy)-2-phenylmethoxypropan-1-ol
InChI:
InChI=1S/C14H21ClO3/c15-8-4-5-9-17-12-14(10-16)18-11-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2
InChI Key:
YFBPXAAHACKKMM-UHFFFAOYSA-N
SMILES:
ClCCCCOCC(OCc1ccccc1)CO
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.769g/mol
Monoisotopic Mass:
272.118g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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