Name: Name:4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2-chloroaniline
Brand: Angene
SKU: AG01F8GM
Rating: 90 (10 reviews)

4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2-chloroaniline

CAS No.:

129075-90-7

Catalog Number:

AG01F8GM

Molecular Formula:

C13H11ClN4

Molecular Weight:

258.7062

Catalog Number:

AG01F8GM

Chemical Name:

4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2-chloroaniline

CAS Number:

129075-90-7

Molecular Formula:

C13H11ClN4

Molecular Weight:

258.7062

MDL Number:

MFCD00960994

IUPAC Name:

4-(benzotriazol-1-ylmethyl)-2-chloroaniline

InChI:

InChI=1S/C13H11ClN4/c14-10-7-9(5-6-11(10)15)8-18-13-4-2-1-3-12(13)16-17-18/h1-7H,8,15H2

InChI Key:

XDMFCHBHEOJXAT-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1Cl)Cn1nnc2c1cccc2

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.709g/mol

Monoisotopic Mass:

258.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8