AG00948Y

Name: 1-Butyl-1,2,3-benzotriazole-5-carboxylic acid
Brand: Angene Chemical
SKU: AG00948Y

120321-66-6 | 1-Butyl-1,2,3-benzotriazole-5-carboxylic acid

AG00948Y

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CAS Number	120321-66-6
Catalog Number	AG00948Y(AGN-PC-0N2OFK)
Chemical Name	1-Butyl-1,2,3-benzotriazole-5-carboxylic acid
IUPAC Name	1-butylbenzotriazole-5-carboxylic acid
InChI	InChI=1S/C11H13N3O2/c1-2-3-6-14-10-5-4-8(11(15)16)7-9(10)12-13-14/h4-5,7H,2-3,6H2,1H3,(H,15,16)
InChI Key	XJQNSWOCRCXWHF-UHFFFAOYSA-N
MDL Number	MFCD09031743
Molecular Formula	C11H13N3O2
Molecular Weight	219.2398
SMILES	CCCCn1nnc2c1ccc(c2)C(=O)O
Synonyms	120321-66-6, 1-Butyl-1,2,3-benzotriazole-5-carboxylic acid, 1-butyl-1H-benzotriazole-5-carboxylic acid, CHEMBL202586, SCHEMBL6044071, CTK6E2674, XJQNSWOCRCXWHF-UHFFFAOYSA-N, ZINC13681549, AKOS000210671, Z8213, K-1432, C11H13N3O2, 1-butylbenzotriazole-5-carboxylic Acid, CID10331019,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.101g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.244g/mol
Monoisotopic Mass	219.101g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited