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114064-27-6 | Benzene, chlorotrimethyl-
CAS No: 114064-27-6 Catalog No: AG000AG9 MDL No:
Product Description
Catalog Number:
AG000AG9
Chemical Name:
Benzene, chlorotrimethyl-
CAS Number:
114064-27-6
Molecular Formula:
C9H11Cl
Molecular Weight:
154.6366
IUPAC Name:
1-chloro-2,3,4-trimethylbenzene
InChI:
InChI=1S/C9H11Cl/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,1-3H3
InChI Key:
UPLGVQNVJNEYEO-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1C)C)Cl
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.055g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.637g/mol
Monoisotopic Mass:
154.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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