Name: Name:5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid
Brand: Angene
SKU: AG019I3E
Rating: 90 (10 reviews)

5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid

CAS No.:

309726-59-8

Catalog Number:

AG019I3E

Molecular Formula:

C14H9N5O4S

Molecular Weight:

343.3174

Catalog Number:

AG019I3E

Chemical Name:

5-nitro-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid

CAS Number:

309726-59-8

Molecular Formula:

C14H9N5O4S

Molecular Weight:

343.3174

MDL Number:

MFCD00514454

IUPAC Name:

5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid

InChI:

InChI=1S/C14H9N5O4S/c20-13(21)11-8-10(19(22)23)6-7-12(11)24-14-15-16-17-18(14)9-4-2-1-3-5-9/h1-8H,(H,20,21)

InChI Key:

ZEKBXTUQEKTDEV-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1Sc1nnnn1c1ccccc1)[N+](=O)[O-]

Complexity:

471

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

343.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

343.317g/mol

Monoisotopic Mass:

343.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

152A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: