Name: Name:4-Isoxazolecarbonitrile, 3-(2-chloro-6-fluorophenyl)-5-methyl-
Brand: Angene
SKU: AG0020MB
Rating: 90 (10 reviews)

4-Isoxazolecarbonitrile, 3-(2-chloro-6-fluorophenyl)-5-methyl-

CAS No.:

175204-41-8

Catalog Number:

AG0020MB

Molecular Formula:

C11H6ClFN2O

Molecular Weight:

236.6295

Catalog Number:

AG0020MB

Chemical Name:

4-Isoxazolecarbonitrile, 3-(2-chloro-6-fluorophenyl)-5-methyl-

CAS Number:

175204-41-8

Molecular Formula:

C11H6ClFN2O

Molecular Weight:

236.6295

MDL Number:

MFCD00052551

IUPAC Name:

3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile

InChI:

InChI=1S/C11H6ClFN2O/c1-6-7(5-14)11(15-16-6)10-8(12)3-2-4-9(10)13/h2-4H,1H3

InChI Key:

ODJAAPYNVRPGAG-UHFFFAOYSA-N

SMILES:

N#Cc1c(C)onc1c1c(F)cccc1Cl

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.63g/mol

Monoisotopic Mass:

236.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9