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87810-51-3 | 1-Propanol, 2-(4-chlorophenoxy)-, (S)-
CAS No: 87810-51-3 Catalog No: AG004K4K MDL No:MFCD28064251
Product Description
Catalog Number:
AG004K4K
Chemical Name:
1-Propanol, 2-(4-chlorophenoxy)-, (S)-
CAS Number:
87810-51-3
Molecular Formula:
C9H11ClO2
Molecular Weight:
186.6354
MDL Number:
MFCD28064251
IUPAC Name:
(2S)-2-(4-chlorophenoxy)propan-1-ol
InChI:
InChI=1S/C9H11ClO2/c1-7(6-11)12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3/t7-/m0/s1
InChI Key:
ULXGJWWZHKJAMQ-ZETCQYMHSA-N
SMILES:
OC[C@@H](Oc1ccc(cc1)Cl)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.635g/mol
Monoisotopic Mass:
186.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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