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1379342-47-8 | 2-(4-Chloro-3-ethylphenyl)-2-propanol
CAS No: 1379342-47-8 Catalog No: AG01FD3A MDL No:
Product Description
Catalog Number:
AG01FD3A
Chemical Name:
2-(4-Chloro-3-ethylphenyl)-2-propanol
CAS Number:
1379342-47-8
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
2-(4-chloro-3-ethylphenyl)propan-2-ol
InChI:
InChI=1S/C11H15ClO/c1-4-8-7-9(11(2,3)13)5-6-10(8)12/h5-7,13H,4H2,1-3H3
InChI Key:
NCXGUCGLSOATSX-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1Cl)C(O)(C)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.69g/mol
Monoisotopic Mass:
198.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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