Name: Name:4-bromo-2-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
Brand: Angene
SKU: AG01B7GE
Rating: 90 (10 reviews)

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

CAS No.:

1183804-10-5

Catalog Number:

AG01B7GE

Molecular Formula:

C8H5BrN4O2

Molecular Weight:

269.0549

Catalog Number:

AG01B7GE

Chemical Name:

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

CAS Number:

1183804-10-5

Molecular Formula:

C8H5BrN4O2

Molecular Weight:

269.0549

MDL Number:

MFCD12805966

IUPAC Name:

4-bromo-2-(tetrazol-1-yl)benzoic acid

InChI:

InChI=1S/C8H5BrN4O2/c9-5-1-2-6(8(14)15)7(3-5)13-4-10-11-12-13/h1-4H,(H,14,15)

InChI Key:

WLTHBSAFJXESRV-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)n1cnnn1)C(=O)O

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.96g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.058g/mol

Monoisotopic Mass:

267.96g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4