200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 20870-37-5
20870-37-5 | Naphthalene, 3,7-bis(1,1-dimethylethyl)-1,5-dinitro-
CAS No: 20870-37-5 Catalog No: AG002JUT MDL No:MFCD00832098
Product Description
Catalog Number:
AG002JUT
Chemical Name:
Naphthalene, 3,7-bis(1,1-dimethylethyl)-1,5-dinitro-
CAS Number:
20870-37-5
Molecular Formula:
C18H22N2O4
Molecular Weight:
330.3783
MDL Number:
MFCD00832098
IUPAC Name:
3,7-ditert-butyl-1,5-dinitronaphthalene
InChI:
InChI=1S/C18H22N2O4/c1-17(2,3)11-7-13-14(15(9-11)19(21)22)8-12(18(4,5)6)10-16(13)20(23)24/h7-10H,1-6H3
InChI Key:
SWSWQZUTMGLDHX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1cc(cc2[N+](=O)[O-])C(C)(C)C)C(C)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.384g/mol
Monoisotopic Mass:
330.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.