200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1256633-41-6
1256633-41-6 | Benzoic acid, 4-fluoro-2-nitro-5-(1H-pyrazol-1-yl)-, ethyl ester
CAS No: 1256633-41-6 Catalog No: AG000OAY MDL No:MFCD18071046
Product Description
Catalog Number:
AG000OAY
Chemical Name:
Benzoic acid, 4-fluoro-2-nitro-5-(1H-pyrazol-1-yl)-, ethyl ester
CAS Number:
1256633-41-6
Molecular Formula:
C12H10FN3O4
Molecular Weight:
279.2239
MDL Number:
MFCD18071046
IUPAC Name:
ethyl 4-fluoro-2-nitro-5-pyrazol-1-ylbenzoate
InChI:
InChI=1S/C12H10FN3O4/c1-2-20-12(17)8-6-11(15-5-3-4-14-15)9(13)7-10(8)16(18)19/h3-7H,2H2,1H3
InChI Key:
QZAVUQIQAFBBIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(c(cc1[N+](=O)[O-])F)n1cccn1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.227g/mol
Monoisotopic Mass:
279.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.