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23002-61-1 | Benzene, 1-(4-chlorobutyl)-4-methoxy-
CAS No: 23002-61-1 Catalog No: AG002LUI MDL No:
Product Description
Catalog Number:
AG002LUI
Chemical Name:
Benzene, 1-(4-chlorobutyl)-4-methoxy-
CAS Number:
23002-61-1
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
1-(4-chlorobutyl)-4-methoxybenzene
InChI:
InChI=1S/C11H15ClO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9H2,1H3
InChI Key:
AGDVTFOLQGWOTG-UHFFFAOYSA-N
SMILES:
ClCCCCc1ccc(cc1)OC
NSC Number:
141199
Properties
Complexity:
119
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:
0
Isotope Atom Count:
0
Molecular Weight:
198.69g/mol
Monoisotopic Mass:
198.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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