Name: Name:1-(1H-1,2,3-Benzotriazol-1-yl)-3,3-dimethylbutan-2-one
Brand: Angene
SKU: AG01EWSE
Rating: 90 (10 reviews)

1-(1H-1,2,3-Benzotriazol-1-yl)-3,3-dimethylbutan-2-one

CAS No.:

64921-92-2

Catalog Number:

AG01EWSE

Molecular Formula:

C12H15N3O

Molecular Weight:

217.2670

Catalog Number:

AG01EWSE

Chemical Name:

1-(1H-1,2,3-Benzotriazol-1-yl)-3,3-dimethylbutan-2-one

CAS Number:

64921-92-2

Molecular Formula:

C12H15N3O

Molecular Weight:

217.2670

MDL Number:

MFCD00964120

IUPAC Name:

1-(benzotriazol-1-yl)-3,3-dimethylbutan-2-one

InChI:

InChI=1S/C12H15N3O/c1-12(2,3)11(16)8-15-10-7-5-4-6-9(10)13-14-15/h4-7H,8H2,1-3H3

InChI Key:

QIKVTMGASRNDSI-UHFFFAOYSA-N

SMILES:

O=C(C(C)(C)C)Cn1nnc2c1cccc2

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.272g/mol

Monoisotopic Mass:

217.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5