200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1804461-04-8
1804461-04-8 | Benzeneacetic acid, 3-nitro-4-(trifluoromethyl)-, ethyl ester
CAS No: 1804461-04-8 Catalog No: AG0021ZY MDL No:
Product Description
Catalog Number:
AG0021ZY
Chemical Name:
Benzeneacetic acid, 3-nitro-4-(trifluoromethyl)-, ethyl ester
CAS Number:
1804461-04-8
Molecular Formula:
C11H10F3NO4
Molecular Weight:
277.1966
IUPAC Name:
ethyl 2-[3-nitro-4-(trifluoromethyl)phenyl]acetate
InChI:
InChI=1S/C11H10F3NO4/c1-2-19-10(16)6-7-3-4-8(11(12,13)14)9(5-7)15(17)18/h3-5H,2,6H2,1H3
InChI Key:
KBUJXIHFKOASNG-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.199g/mol
Monoisotopic Mass:
277.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.