200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 866082-35-1
866082-35-1 | Benzoic acid, 4-(3-fluoro-2-nitrophenoxy)-3,5-dimethyl-, methyl ester
CAS No: 866082-35-1 Catalog No: AG004P26 MDL No:
Product Description
Catalog Number:
AG004P26
Chemical Name:
Benzoic acid, 4-(3-fluoro-2-nitrophenoxy)-3,5-dimethyl-, methyl ester
CAS Number:
866082-35-1
Molecular Formula:
C16H14FNO5
Molecular Weight:
319.2845
IUPAC Name:
methyl 4-(3-fluoro-2-nitrophenoxy)-3,5-dimethylbenzoate
InChI:
InChI=1S/C16H14FNO5/c1-9-7-11(16(19)22-3)8-10(2)15(9)23-13-6-4-5-12(17)14(13)18(20)21/h4-8H,1-3H3
InChI Key:
CJXQYFCWTYPFEW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)C)Oc1cccc(c1[N+](=O)[O-])F
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.288g/mol
Monoisotopic Mass:
319.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.