Name: Name:9-chloro-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-1-one
Brand: Angene
SKU: AG01BEOW
Rating: 90 (10 reviews)

9-chloro-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-1-one

CAS No.:

1331936-68-5

Catalog Number:

AG01BEOW

Molecular Formula:

C12H11ClN2O

Molecular Weight:

234.6815

Catalog Number:

AG01BEOW

Chemical Name:

9-chloro-1H,2H,3H,4H,5H,6H-azepino[4,3-b]indol-1-one

CAS Number:

1331936-68-5

Molecular Formula:

C12H11ClN2O

Molecular Weight:

234.6815

MDL Number:

MFCD28125011

IUPAC Name:

9-chloro-3,4,5,6-tetrahydro-2H-azepino[4,3-b]indol-1-one

InChI:

InChI=1S/C12H11ClN2O/c13-7-3-4-9-8(6-7)11-10(15-9)2-1-5-14-12(11)16/h3-4,6,15H,1-2,5H2,(H,14,16)

InChI Key:

YSPDXNKLMDXYMC-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)c1C(=O)NCCCc1[nH]2

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.683g/mol

Monoisotopic Mass:

234.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4