Name: Name:5-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
Brand: Angene
SKU: AG01C0BA
Rating: 90 (10 reviews)

5-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid

CAS No.:

926199-53-3

Catalog Number:

AG01C0BA

Molecular Formula:

C8H5N5O4

Molecular Weight:

235.1564

Catalog Number:

AG01C0BA

Chemical Name:

5-nitro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid

CAS Number:

926199-53-3

Molecular Formula:

C8H5N5O4

Molecular Weight:

235.1564

MDL Number:

MFCD09047082

IUPAC Name:

5-nitro-2-(tetrazol-1-yl)benzoic acid

InChI:

InChI=1S/C8H5N5O4/c14-8(15)6-3-5(13(16)17)1-2-7(6)12-4-9-10-11-12/h1-4H,(H,14,15)

InChI Key:

IFMXTXSCYARSKJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1n1cnnn1)[N+](=O)[O-]

Complexity:

320

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.159g/mol

Monoisotopic Mass:

235.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

127A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6