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114446-50-3 | Benzene, 1-[(1S)-3-chloro-1-phenylpropoxy]-2-methyl-
CAS No: 114446-50-3 Catalog No: AG000EER MDL No:
Product Description
Catalog Number:
AG000EER
Chemical Name:
Benzene, 1-[(1S)-3-chloro-1-phenylpropoxy]-2-methyl-
CAS Number:
114446-50-3
Molecular Formula:
C16H17ClO
Molecular Weight:
260.7586
IUPAC Name:
1-[(1S)-3-chloro-1-phenylpropoxy]-2-methylbenzene
InChI:
InChI=1S/C16H17ClO/c1-13-7-5-6-10-15(13)18-16(11-12-17)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChI Key:
SQDWIPMYVBCJJX-INIZCTEOSA-N
SMILES:
ClCC[C@@H](c1ccccc1)Oc1ccccc1C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.761g/mol
Monoisotopic Mass:
260.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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