Name: Name:Benzyl 2-cyano-2-(4-fluoro-5-Methyl-2-nitrophenyl)acetate
Brand: Angene
SKU: AG0096NT
Rating: 90 (10 reviews)

Benzyl 2-cyano-2-(4-fluoro-5-Methyl-2-nitrophenyl)acetate

CAS No.:

1071974-01-0

Catalog Number:

AG0096NT

Molecular Formula:

C17H13FN2O4

Molecular Weight:

328.2945

Catalog Number:

AG0096NT

Chemical Name:

Benzyl 2-cyano-2-(4-fluoro-5-Methyl-2-nitrophenyl)acetate

CAS Number:

1071974-01-0

Molecular Formula:

C17H13FN2O4

Molecular Weight:

328.2945

MDL Number:

MFCD28369447

IUPAC Name:

benzyl 2-cyano-2-(4-fluoro-5-methyl-2-nitrophenyl)acetate

InChI:

InChI=1S/C17H13FN2O4/c1-11-7-13(16(20(22)23)8-15(11)18)14(9-19)17(21)24-10-12-5-3-2-4-6-12/h2-8,14H,10H2,1H3

InChI Key:

IYULZAQZZQQAFH-UHFFFAOYSA-N

SMILES:

N#CC(c1cc(C)c(cc1[N+](=O)[O-])F)C(=O)OCc1ccccc1

Complexity:

507

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

328.299g/mol

Monoisotopic Mass:

328.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5