2-benzyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

2-benzyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

CAS: 208118-13-2

Formula: C15H13ClN2O2

SMILES: Cl.OC(=O)C1=CC=C2NC(CC3=CC=CC=C3)=NC2=C1

IUPAC: 2-benzyl-1H-1,3-benzodiazole-5-carboxylic acid hydrochloride

InChI: InChI=1S/C15H12N2O2.ClH/c18-15(19)11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10;/h1-7,9H,8H2,(H,16,17)(H,18,19);1H

Composition: C (62.40%), H (4.54%), Cl (12.28%), N (9.70%), O (11.08%)

Molar Mass: 288.73

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	288.0665554
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CGKRCJXXOLEYDU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.39
Topological Polar Surface Area	65.98
Polarizability	28.33
Ring Count	3
Rotatable Bond Count	3

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