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13240-60-3 | Benzene, 1-(1-chloro-1-methylethyl)-3-methyl-
CAS No: 13240-60-3 Catalog No: AG0010ND MDL No:
Product Description
Catalog Number:
AG0010ND
Chemical Name:
Benzene, 1-(1-chloro-1-methylethyl)-3-methyl-
CAS Number:
13240-60-3
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
IUPAC Name:
1-(2-chloropropan-2-yl)-3-methylbenzene
InChI:
InChI=1S/C10H13Cl/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7H,1-3H3
InChI Key:
SKTMIVMFXBLXCP-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(Cl)(C)C
Properties
Complexity:
129
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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