3-methyl-6-{2'-methyl-[1,1'-biphenyl]-4-yl}-1,2,3-benzotriazole-4-carboxylic acid

3-methyl-6-{2'-methyl-[1,1'-biphenyl]-4-yl}-1,2,3-benzotriazole-4-carboxylic acid

CAS: 1623416-31-8

Formula: C21H17N3O2

SMILES: CN1N=NC2=CC(=CC(C(O)=O)=C12)C1=CC=C(C=C1)C1=C(C)C=CC=C1

IUPAC: 1-methyl-5-{2'-methyl-[1,1'-biphenyl]-4-yl}-1H-1,2,3-benzotriazole-7-carboxylic acid

InChI: InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26)

Composition: C (73.45%), H (4.99%), N (12.24%), O (9.32%)

Molar Mass: 343.386

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	343.132076799
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GSBZRCGZLMBSNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.84
Topological Polar Surface Area	68.01
Polarizability	41.64
Ring Count	4
Rotatable Bond Count	3

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