200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 402617-00-9
402617-00-9 | methyl 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoate
CAS No: 402617-00-9 Catalog No: AG00JK8U MDL No:MFCD02055732
Product Description
Catalog Number:
AG00JK8U
Chemical Name:
methyl 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoate
CAS Number:
402617-00-9
Molecular Formula:
C12H13N3O5
Molecular Weight:
279.2487
MDL Number:
MFCD02055732
IUPAC Name:
methyl 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxylate
InChI:
InChI=1S/C12H13N3O5/c1-7-11(15(17)18)8(2)14(13-7)6-9-4-5-10(20-9)12(16)19-3/h4-5H,6H2,1-3H3
InChI Key:
NKMLPDFXBCJEHK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)Cn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.252g/mol
Monoisotopic Mass:
279.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.