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Home > Nitro Compounds > 406470-84-6
406470-84-6 | methyl 5-[(4-methyl-2-nitrophenoxy)methyl]-2-furoate
CAS No: 406470-84-6 Catalog No: AG00JEGJ MDL No:MFCD03296572
Product Description
Catalog Number:
AG00JEGJ
Chemical Name:
methyl 5-[(4-methyl-2-nitrophenoxy)methyl]-2-furoate
CAS Number:
406470-84-6
Molecular Formula:
C14H13NO6
Molecular Weight:
291.2561
MDL Number:
MFCD03296572
IUPAC Name:
methyl 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxylate
InChI:
InChI=1S/C14H13NO6/c1-9-3-5-12(11(7-9)15(17)18)20-8-10-4-6-13(21-10)14(16)19-2/h3-7H,8H2,1-2H3
InChI Key:
VFHBZZDZKULWDU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)COc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.259g/mol
Monoisotopic Mass:
291.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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