CAS 148004-76-6 | 1-[(4-Fluorophenyl)methyl]-1H-1,2,3-benzotriazole | CAS Number 148004-76-6

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148004-76-6 | 1-[(4-Fluorophenyl)methyl]-1H-1,2,3-benzotriazole

CAS No: 148004-76-6 Catalog No: AG01EU7M MDL No:

Product Description

Catalog Number:

AG01EU7M

Chemical Name:

1-[(4-Fluorophenyl)methyl]-1H-1,2,3-benzotriazole

CAS Number:

148004-76-6

Molecular Formula:

C13H10FN3

Molecular Weight:

227.2370

IUPAC Name:

1-[(4-fluorophenyl)methyl]benzotriazole

InChI:

InChI=1S/C13H10FN3/c14-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2

InChI Key:

LYLXLYIBPQKLIU-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)Cn1nnc2c1cccc2

Properties

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.242g/mol

Monoisotopic Mass:

227.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501