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1-(azepan-1-yl)-2-chloropropan-1-one

1-(azepan-1-yl)-2-chloropropan-1-one

CAS: 115840-34-1

Formula: C9H16ClNO

SMILES: CC(Cl)C(=O)N1CCCCCC1

IUPAC: 1-(azepan-1-yl)-2-chloropropan-1-one

InChI: InChI=1/C9H16ClNO/c1-8(10)9(12)11-6-4-2-3-5-7-11/h8H,2-7H2,1H3

Composition: C (56.99%), H (8.50%), Cl (18.69%), N (7.38%), O (8.43%)

Molar Mass: 189.68

Atom Count: 28

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 189.0920418
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey FZICYJAARJPVGH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.25
Topological Polar Surface Area 20.31
Polarizability 19.63
Ring Count 1
Rotatable Bond Count 1

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