Name: Name:2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitrobenzoic acid
Brand: Angene
SKU: AG019I2C
Rating: 90 (10 reviews)

2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitrobenzoic acid

CAS No.:

393126-60-8

Catalog Number:

AG019I2C

Molecular Formula:

C9H7N5O4S

Molecular Weight:

281.2480

Catalog Number:

AG019I2C

Chemical Name:

2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitrobenzoic acid

CAS Number:

393126-60-8

Molecular Formula:

C9H7N5O4S

Molecular Weight:

281.2480

MDL Number:

MFCD02061313

IUPAC Name:

2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzoic acid

InChI:

InChI=1S/C9H7N5O4S/c1-13-9(10-11-12-13)19-7-3-2-5(14(17)18)4-6(7)8(15)16/h2-4H,1H3,(H,15,16)

InChI Key:

VZOHBELMYVQRQG-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1Sc1nnnn1C)[N+](=O)[O-]

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.246g/mol

Monoisotopic Mass:

281.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

152A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3