Name: Name:1-Benzyl-1,2,3-benzotriazole-5-carboxylic acid
Brand: Angene
SKU: AG00BIFP
Rating: 90 (10 reviews)

1-Benzyl-1,2,3-benzotriazole-5-carboxylic acid

CAS No.:

220143-28-2

Catalog Number:

AG00BIFP

Molecular Formula:

C14H11N3O2

Molecular Weight:

253.2560

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

98%

In Stock USA

United States

$150

- +

98%

In Stock USA

United States

$450

- +

25g

98%

In Stock USA

United States

$1225

- +

Product Description

Catalog Number:

AG00BIFP

Chemical Name:

1-Benzyl-1,2,3-benzotriazole-5-carboxylic acid

CAS Number:

220143-28-2

Molecular Formula:

C14H11N3O2

Molecular Weight:

253.2560

MDL Number:

MFCD09031749

IUPAC Name:

1-benzylbenzotriazole-5-carboxylic acid

InChI:

InChI=1S/C14H11N3O2/c18-14(19)11-6-7-13-12(8-11)15-16-17(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

InChI Key:

DYDCPTUTFGJNQT-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)nnn2Cc1ccccc1

Properties

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.261g/mol

Monoisotopic Mass:

253.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b.	Journal of medicinal chemistry 20060223