Name: Name:2-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLTHIO)PYRIDINE-3-CARBOXYLIC ACID
Brand: Angene
SKU: AG00BCQH
Rating: 90 (10 reviews)

2-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLTHIO)PYRIDINE-3-CARBOXYLIC ACID

CAS No.:

303149-99-7

Catalog Number:

AG00BCQH

Molecular Formula:

C12H6ClF3N2O2S

Molecular Weight:

334.7014

Catalog Number:

AG00BCQH

Chemical Name:

2-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLTHIO)PYRIDINE-3-CARBOXYLIC ACID

CAS Number:

303149-99-7

Molecular Formula:

C12H6ClF3N2O2S

Molecular Weight:

334.7014

MDL Number:

MFCD00244738

IUPAC Name:

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-3-carboxylic acid

InChI:

InChI=1S/C12H6ClF3N2O2S/c13-8-4-6(12(14,15)16)5-18-10(8)21-9-7(11(19)20)2-1-3-17-9/h1-5H,(H,19,20)

InChI Key:

VLGROHDCHOAOOQ-UHFFFAOYSA-N

SMILES:

Clc1cc(cnc1Sc1ncccc1C(=O)O)C(F)(F)F

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.697g/mol

Monoisotopic Mass:

333.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6