Name: Name:2H-1,4-Benzodiazepin-2-one, 3-amino-9-fluoro-1,3-dihydro-5-phenyl-
Brand: Angene
SKU: AG00ABMG
Rating: 90 (10 reviews)

2H-1,4-Benzodiazepin-2-one, 3-amino-9-fluoro-1,3-dihydro-5-phenyl-

CAS No.:

1584714-99-7

Catalog Number:

AG00ABMG

Molecular Formula:

C15H12FN3O

Molecular Weight:

269.2737

Catalog Number:

AG00ABMG

Chemical Name:

2H-1,4-Benzodiazepin-2-one, 3-amino-9-fluoro-1,3-dihydro-5-phenyl-

CAS Number:

1584714-99-7

Molecular Formula:

C15H12FN3O

Molecular Weight:

269.2737

MDL Number:

MFCD29472336

IUPAC Name:

3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

InChI:

InChI=1S/C15H12FN3O/c16-11-8-4-7-10-12(9-5-2-1-3-6-9)18-14(17)15(20)19-13(10)11/h1-8,14H,17H2,(H,19,20)

InChI Key:

WIORTIPKQQCZHO-UHFFFAOYSA-N

SMILES:

NC1N=C(c2ccccc2)c2c(NC1=O)c(F)ccc2

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.279g/mol

Monoisotopic Mass:

269.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7