Name: Name:1-[2-(trifluoromethyl)benzoyl]-1,4-diazepane hydrochloride
Brand: Angene
SKU: AG01EJAE
Rating: 90 (10 reviews)

1-[2-(trifluoromethyl)benzoyl]-1,4-diazepane hydrochloride

CAS No.:

1593112-79-8

Catalog Number:

AG01EJAE

Molecular Formula:

C13H16ClF3N2O

Molecular Weight:

308.7271

Catalog Number:

AG01EJAE

Chemical Name:

1-[2-(trifluoromethyl)benzoyl]-1,4-diazepane hydrochloride

CAS Number:

1593112-79-8

Molecular Formula:

C13H16ClF3N2O

Molecular Weight:

308.7271

MDL Number:

MFCD31666145

IUPAC Name:

1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methanone;hydrochloride

InChI:

InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)11-5-2-1-4-10(11)12(19)18-8-3-6-17-7-9-18;/h1-2,4-5,17H,3,6-9H2;1H

InChI Key:

XOUYDKQSDBCJOZ-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1C(F)(F)F)N1CCNCCC1.Cl

Complexity:

320

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.729g/mol

Monoisotopic Mass:

308.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: