Name: Name:PROPAN-2-YL 2-([2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]AMINO)ACETATE
Brand: Angene
SKU: AG01EJ9E
Rating: 90 (10 reviews)

PROPAN-2-YL 2-([2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]AMINO)ACETATE

CAS No.:

1949836-93-4

Catalog Number:

AG01EJ9E

Molecular Formula:

C12H12F3N3O6

Molecular Weight:

351.2354

Catalog Number:

AG01EJ9E

Chemical Name:

PROPAN-2-YL 2-([2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]AMINO)ACETATE

CAS Number:

1949836-93-4

Molecular Formula:

C12H12F3N3O6

Molecular Weight:

351.2354

MDL Number:

MFCD28132870

IUPAC Name:

propan-2-yl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetate

InChI:

InChI=1S/C12H12F3N3O6/c1-6(2)24-10(19)5-16-11-8(17(20)21)3-7(12(13,14)15)4-9(11)18(22)23/h3-4,6,16H,5H2,1-2H3

InChI Key:

QHPSFQQASBMXOE-UHFFFAOYSA-N

SMILES:

CC(OC(=O)CNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C

Complexity:

464

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

351.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

351.238g/mol

Monoisotopic Mass:

351.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

130A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7