200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 827340-54-5
827340-54-5 | 1,1'-Biphenyl, 4-[(hexadecyloxy)methyl]-4'-methyl-3,3'-dinitro-
CAS No: 827340-54-5 Catalog No: AG00586A MDL No:
Product Description
Catalog Number:
AG00586A
Chemical Name:
1,1'-Biphenyl, 4-[(hexadecyloxy)methyl]-4'-methyl-3,3'-dinitro-
CAS Number:
827340-54-5
Molecular Formula:
C30H44N2O5
Molecular Weight:
512.6808
IUPAC Name:
4-[4-(hexadecoxymethyl)-3-nitrophenyl]-1-methyl-2-nitrobenzene
InChI:
InChI=1S/C30H44N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-37-24-28-20-19-27(23-30(28)32(35)36)26-18-17-25(2)29(22-26)31(33)34/h17-20,22-23H,3-16,21,24H2,1-2H3
InChI Key:
ZHTLJFRUKQGZHZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCc1ccc(cc1[N+](=O)[O-])c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.325g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.691g/mol
Monoisotopic Mass:
512.325g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.