Name: Name:8-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Brand: Angene
SKU: AG01AJX2
Rating: 90 (10 reviews)

8-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

CAS No.:

1333529-46-6

Catalog Number:

AG01AJX2

Molecular Formula:

C10H13FN2

Molecular Weight:

180.2220

Catalog Number:

AG01AJX2

Chemical Name:

8-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

CAS Number:

1333529-46-6

Molecular Formula:

C10H13FN2

Molecular Weight:

180.2220

MDL Number:

MFCD19686439

IUPAC Name:

7-fluoro-5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine

InChI:

InChI=1S/C10H13FN2/c1-13-6-2-5-12-9-4-3-8(11)7-10(9)13/h3-4,7,12H,2,5-6H2,1H3

InChI Key:

QGEORXAKNXBRQA-UHFFFAOYSA-N

SMILES:

Fc1ccc2c(c1)N(C)CCCN2

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.226g/mol

Monoisotopic Mass:

180.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3