Name: Name:1-(3-chloro-2-methylphenyl)-1,4-diazepane
Brand: Angene
SKU: AG01B9HS
Rating: 90 (10 reviews)

1-(3-chloro-2-methylphenyl)-1,4-diazepane

CAS No.:

1368956-23-3

Catalog Number:

AG01B9HS

Molecular Formula:

C12H17ClN2

Molecular Weight:

224.7298

Catalog Number:

AG01B9HS

Chemical Name:

1-(3-chloro-2-methylphenyl)-1,4-diazepane

CAS Number:

1368956-23-3

Molecular Formula:

C12H17ClN2

Molecular Weight:

224.7298

MDL Number:

MFCD21114365

IUPAC Name:

1-(3-chloro-2-methylphenyl)-1,4-diazepane

InChI:

InChI=1S/C12H17ClN2/c1-10-11(13)4-2-5-12(10)15-8-3-6-14-7-9-15/h2,4-5,14H,3,6-9H2,1H3

InChI Key:

CPNHKDLXDCRBRW-UHFFFAOYSA-N

SMILES:

Cc1c(Cl)cccc1N1CCNCCC1

Complexity:

198

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.108g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.732g/mol

Monoisotopic Mass:

224.108g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7