200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1985-64-4
1985-64-4 | Benzene, 2-(1,1-dimethylethyl)-1,3-dimethyl-
CAS No: 1985-64-4 Catalog No: AG002BKQ MDL No:
Product Description
Catalog Number:
AG002BKQ
Chemical Name:
Benzene, 2-(1,1-dimethylethyl)-1,3-dimethyl-
CAS Number:
1985-64-4
Molecular Formula:
C12H18
Molecular Weight:
162.2713
IUPAC Name:
2-tert-butyl-1,3-dimethylbenzene
InChI:
InChI=1S/C12H18/c1-9-7-6-8-10(2)11(9)12(3,4)5/h6-8H,1-5H3
InChI Key:
KSHRLMQTTISAEL-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C(C)(C)C)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.141g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.276g/mol
Monoisotopic Mass:
162.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.