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61468-39-1 | 1-(tert-Butyl)-3-chloro-5-methylbenzene
CAS No: 61468-39-1 Catalog No: AG003JWL MDL No:MFCD15143550
Product Description
Catalog Number:
AG003JWL
Chemical Name:
1-(tert-Butyl)-3-chloro-5-methylbenzene
CAS Number:
61468-39-1
Molecular Formula:
C11H15Cl
Molecular Weight:
182.6898
MDL Number:
MFCD15143550
IUPAC Name:
1-tert-butyl-3-chloro-5-methylbenzene
InChI:
InChI=1S/C11H15Cl/c1-8-5-9(11(2,3)4)7-10(12)6-8/h5-7H,1-4H3
InChI Key:
PGWGZYIVAPNUTH-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)cc(c1)C(C)(C)C
Properties
Complexity:
146
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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