CAS 127876-36-2 | 2-(1H-1,2,3-benzotriazol-1-yl)-1-phenylethan-1-one | CAS Number 127876-36-2

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127876-36-2 | 2-(1H-1,2,3-benzotriazol-1-yl)-1-phenylethan-1-one

CAS No: 127876-36-2 Catalog No: AG00W3TC MDL No:MFCD00593402

Product Description

Catalog Number:

AG00W3TC

Chemical Name:

2-(1H-1,2,3-benzotriazol-1-yl)-1-phenylethan-1-one

CAS Number:

127876-36-2

Molecular Formula:

C14H11N3O

Molecular Weight:

237.2566

MDL Number:

MFCD00593402

IUPAC Name:

2-(benzotriazol-1-yl)-1-phenylethanone

InChI:

InChI=1S/C14H11N3O/c18-14(11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15-16-17/h1-9H,10H2

InChI Key:

CGJMVBVILLBOKQ-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1)Cn1nnc2c1cccc2

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.262g/mol

Monoisotopic Mass:

237.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
2-(1H-Benzotriazol-1-yl)-1-phenyl-ethanol.	Acta crystallographica. Section E, Structure reports online 20100401
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