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Home > Nitro Compounds > 866151-85-1
866151-85-1 | butyl 4-(2,4-dinitrophenyl)butanoate
CAS No: 866151-85-1 Catalog No: AG00IT5S MDL No:MFCD05669252
Product Description
Catalog Number:
AG00IT5S
Chemical Name:
butyl 4-(2,4-dinitrophenyl)butanoate
CAS Number:
866151-85-1
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
MDL Number:
MFCD05669252
IUPAC Name:
butyl 4-(2,4-dinitrophenyl)butanoate
InChI:
InChI=1S/C14H18N2O6/c1-2-3-9-22-14(17)6-4-5-11-7-8-12(15(18)19)10-13(11)16(20)21/h7-8,10H,2-6,9H2,1H3
InChI Key:
SQSVONOUJQLKRA-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.306g/mol
Monoisotopic Mass:
310.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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