Name: Name:Benzenecarbothioamide, N-(4-chloro-3-nitrophenyl)-4-(trifluoromethyl)-
Brand: Angene
SKU: AG000OII
Rating: 90 (10 reviews)

Benzenecarbothioamide, N-(4-chloro-3-nitrophenyl)-4-(trifluoromethyl)-

CAS No.:

1257095-61-6

Catalog Number:

AG000OII

Molecular Formula:

C14H8ClF3N2O2S

Molecular Weight:

360.7387

Catalog Number:

AG000OII

Chemical Name:

Benzenecarbothioamide, N-(4-chloro-3-nitrophenyl)-4-(trifluoromethyl)-

CAS Number:

1257095-61-6

Molecular Formula:

C14H8ClF3N2O2S

Molecular Weight:

360.7387

MDL Number:

MFCD27952658

IUPAC Name:

N-(4-chloro-3-nitrophenyl)-4-(trifluoromethyl)benzenecarbothioamide

InChI:

InChI=1S/C14H8ClF3N2O2S/c15-11-6-5-10(7-12(11)20(21)22)19-13(23)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,19,23)

InChI Key:

YJGAJMDYGGYCBM-UHFFFAOYSA-N

SMILES:

S=C(c1ccc(cc1)C(F)(F)F)Nc1ccc(c(c1)[N+](=O)[O-])Cl

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

359.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

360.735g/mol

Monoisotopic Mass:

359.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7