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100620-48-2 | Benzene, 1-(3-chloropropoxy)-4-(1,1-dimethylethyl)-
CAS No: 100620-48-2 Catalog No: AG0002HO MDL No:
Product Description
Catalog Number:
AG0002HO
Chemical Name:
Benzene, 1-(3-chloropropoxy)-4-(1,1-dimethylethyl)-
CAS Number:
100620-48-2
Molecular Formula:
C13H19ClO
Molecular Weight:
226.7424
IUPAC Name:
1-tert-butyl-4-(3-chloropropoxy)benzene
InChI:
InChI=1S/C13H19ClO/c1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14/h5-8H,4,9-10H2,1-3H3
InChI Key:
GNHPTRICCRQOQY-UHFFFAOYSA-N
SMILES:
ClCCCOc1ccc(cc1)C(C)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.744g/mol
Monoisotopic Mass:
226.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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