Name: Name:6-fluoro-1H-1,2,3-benzotriazole-4-carboxylic acid
Brand: Angene
SKU: AG01BDC0
Rating: 90 (10 reviews)

6-fluoro-1H-1,2,3-benzotriazole-4-carboxylic acid

CAS No.:

1798688-36-4

Catalog Number:

AG01BDC0

Molecular Formula:

C7H4FN3O2

Molecular Weight:

181.1240

Catalog Number:

AG01BDC0

Chemical Name:

6-fluoro-1H-1,2,3-benzotriazole-4-carboxylic acid

CAS Number:

1798688-36-4

Molecular Formula:

C7H4FN3O2

Molecular Weight:

181.1240

MDL Number:

MFCD28023595

IUPAC Name:

6-fluoro-2H-benzotriazole-4-carboxylic acid

InChI:

InChI=1S/C7H4FN3O2/c8-3-1-4(7(12)13)6-5(2-3)9-11-10-6/h1-2H,(H,12,13)(H,9,10,11)

InChI Key:

UWHVJZFOXUBOHX-UHFFFAOYSA-N

SMILES:

Fc1cc(C(=O)O)c2c(c1)[nH]nn2

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.126g/mol

Monoisotopic Mass:

181.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6