200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 93980-93-9
93980-93-9 | 1-(1,1-DIMETHYLPROPYL)-4-(2-NITROPHENOXY)BENZENE
CAS No: 93980-93-9 Catalog No: AG00H6AC MDL No:
Product Description
Catalog Number:
AG00H6AC
Chemical Name:
1-(1,1-DIMETHYLPROPYL)-4-(2-NITROPHENOXY)BENZENE
CAS Number:
93980-93-9
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
IUPAC Name:
1-[4-(2-methylbutan-2-yl)phenoxy]-2-nitrobenzene
InChI:
InChI=1S/C17H19NO3/c1-4-17(2,3)13-9-11-14(12-10-13)21-16-8-6-5-7-15(16)18(19)20/h5-12H,4H2,1-3H3
InChI Key:
GEJOEGDFPKMVEQ-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Oc1ccccc1[N+](=O)[O-])(C)C
EC Number:
301-073-4
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.343g/mol
Monoisotopic Mass:
285.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.