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2051-18-5 | Benzene, 1-(chloromethyl)-4-(1-methylethyl)-
CAS No: 2051-18-5 Catalog No: AG0029V9 MDL No:MFCD00018885
Product Description
Catalog Number:
AG0029V9
Chemical Name:
Benzene, 1-(chloromethyl)-4-(1-methylethyl)-
CAS Number:
2051-18-5
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
MDL Number:
MFCD00018885
IUPAC Name:
1-(chloromethyl)-4-propan-2-ylbenzene
InChI:
InChI=1S/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3
InChI Key:
CYAKWEQUWJAHLW-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C(C)C
EC Number:
218-114-6
NSC Number:
33915
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.664g/mol
Monoisotopic Mass:
168.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Studies of the Antiproliferative Activity of Ruthenium (II) Cyclopentadienyl-Derived Complexes with Nitrogen Coordinated Ligands. | Bioinorganic chemistry and applications 20100101 |
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