sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL

2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL

CAS No.:
3687-22-7
Catalog Number:
AG00368M
Molecular Formula:
C14H20N2O5
Molecular Weight:
296.3190
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$730
- +
250mg
95%
In Stock USA
United States
$1173
- +
Product Description
Catalog Number:
AG00368M
Chemical Name:
2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL
CAS Number:
3687-22-7
Molecular Formula:
C14H20N2O5
Molecular Weight:
296.3190
MDL Number:
MFCD29049957
IUPAC Name:
2,4-dinitro-6-octan-2-ylphenol
InChI:
InChI=1S/C14H20N2O5/c1-3-4-5-6-7-10(2)12-8-11(15(18)19)9-13(14(12)17)16(20)21/h8-10,17H,3-7H2,1-2H3
InChI Key:
DVOCCVCLRHDYOB-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C
EC Number:
481-830-4
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.137g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.323g/mol
Monoisotopic Mass:
296.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
A fast, inexpensive, and safe method for residue analysis of meptyldinocap in different fruits by liquid chromatography/tandem mass spectrometry. Journal of AOAC International 20100101
Properties