200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 6279-89-6
6279-89-6 | 4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE
CAS No: 6279-89-6 Catalog No: AG00F3DR MDL No:MFCD00052180
Product Description
Catalog Number:
AG00F3DR
Chemical Name:
4-TERT-BUTYL-2,6-DIMETHYLNITROBENZENE
CAS Number:
6279-89-6
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD00052180
IUPAC Name:
5-tert-butyl-1,3-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C12H17NO2/c1-8-6-10(12(3,4)5)7-9(2)11(8)13(14)15/h6-7H,1-5H3
InChI Key:
NZAWLDGUWOQFQA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cc(cc1C)C(C)(C)C
NSC Number:
11015
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.