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103861-30-9 | 1-(chloromethyl)-2-isobutylbenzene
CAS No: 103861-30-9 Catalog No: AG01BIXE MDL No:MFCD20636680
Product Description
Catalog Number:
AG01BIXE
Chemical Name:
1-(chloromethyl)-2-isobutylbenzene
CAS Number:
103861-30-9
Molecular Formula:
C11H15Cl
Molecular Weight:
182.6898
MDL Number:
MFCD20636680
IUPAC Name:
1-(chloromethyl)-2-(2-methylpropyl)benzene
InChI:
InChI=1S/C11H15Cl/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,9H,7-8H2,1-2H3
InChI Key:
DLVUFJUQSHGYKG-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1CC(C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.086g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.691g/mol
Monoisotopic Mass:
182.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Quantitative structural characterization of POSS and octavinyl-POSS nanocomposites by solid state NMR. | Solid state nuclear magnetic resonance 20120101 |
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