Name: Name:2-{[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A0ON
Rating: 90 (10 reviews)

2-{[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No.:

893725-75-2

Catalog Number:

AG01A0ON

Molecular Formula:

C14H10ClN3O3S

Molecular Weight:

335.7655

Catalog Number:

AG01A0ON

Chemical Name:

2-{[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS Number:

893725-75-2

Molecular Formula:

C14H10ClN3O3S

Molecular Weight:

335.7655

MDL Number:

MFCD07364261

IUPAC Name:

2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

InChI:

InChI=1S/C14H10ClN3O3S/c15-9-3-5-10(6-4-9)18-13(11-2-1-7-21-11)16-17-14(18)22-8-12(19)20/h1-7H,8H2,(H,19,20)

InChI Key:

FWJRMUUTIMSFMP-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccco1

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

335.762g/mol

Monoisotopic Mass:

335.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9