Name: Name:1-(butan-2-yl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-5-amine
Brand: Angene
SKU: AG01AUD7
Rating: 90 (10 reviews)

1-(butan-2-yl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-5-amine

CAS No.:

1479797-03-9

Catalog Number:

AG01AUD7

Molecular Formula:

C12H14F3N3

Molecular Weight:

257.2549

Catalog Number:

AG01AUD7

Chemical Name:

1-(butan-2-yl)-2-(trifluoromethyl)-1H-1,3-benzodiazol-5-amine

CAS Number:

1479797-03-9

Molecular Formula:

C12H14F3N3

Molecular Weight:

257.2549

MDL Number:

MFCD06654056

IUPAC Name:

1-butan-2-yl-2-(trifluoromethyl)benzimidazol-5-amine

InChI:

InChI=1S/C12H14F3N3/c1-3-7(2)18-10-5-4-8(16)6-9(10)17-11(18)12(13,14)15/h4-7H,3,16H2,1-2H3

InChI Key:

LSLNUBCKZZOIQB-UHFFFAOYSA-N

SMILES:

CCC(n1c2ccc(cc2nc1C(F)(F)F)N)C

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.26g/mol

Monoisotopic Mass:

257.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9