Name: Name:2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-(4-NITROPHENYL)ACETONITRILE
Brand: Angene
SKU: AG00C1RQ
Rating: 90 (10 reviews)

2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-(4-NITROPHENYL)ACETONITRILE

CAS No.:

213994-29-7

Catalog Number:

AG00C1RQ

Molecular Formula:

C14H7ClF3N3O2

Molecular Weight:

341.6725

Catalog Number:

AG00C1RQ

Chemical Name:

2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-(4-NITROPHENYL)ACETONITRILE

CAS Number:

213994-29-7

Molecular Formula:

C14H7ClF3N3O2

Molecular Weight:

341.6725

MDL Number:

MFCD00172215

IUPAC Name:

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-nitrophenyl)acetonitrile

InChI:

InChI=1S/C14H7ClF3N3O2/c15-12-5-9(14(16,17)18)7-20-13(12)11(6-19)8-1-3-10(4-2-8)21(22)23/h1-5,7,11H

InChI Key:

QKHYZVNJBQELIN-UHFFFAOYSA-N

SMILES:

N#CC(c1ncc(cc1Cl)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-]

Complexity:

480

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

341.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

341.674g/mol

Monoisotopic Mass:

341.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6