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1626-42-2 | Benzene, 2-(3-chloropropoxy)-1,3-dimethyl-
CAS No: 1626-42-2 Catalog No: AG001T9N MDL No:
Product Description
Catalog Number:
AG001T9N
Chemical Name:
Benzene, 2-(3-chloropropoxy)-1,3-dimethyl-
CAS Number:
1626-42-2
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
2-(3-chloropropoxy)-1,3-dimethylbenzene
InChI:
InChI=1S/C11H15ClO/c1-9-5-3-6-10(2)11(9)13-8-4-7-12/h3,5-6H,4,7-8H2,1-2H3
InChI Key:
XOIDAVGIYOAHGU-UHFFFAOYSA-N
SMILES:
ClCCCOc1c(C)cccc1C
Properties
Complexity:
128
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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