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115840-34-1 | 1-Propanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)-
CAS No: 115840-34-1 Catalog No: AG000GYD MDL No:MFCD08262829
Product Description
Catalog Number:
AG000GYD
Chemical Name:
1-Propanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)-
CAS Number:
115840-34-1
Molecular Formula:
C9H16ClNO
Molecular Weight:
189.6824
MDL Number:
MFCD08262829
IUPAC Name:
1-(azepan-1-yl)-2-chloropropan-1-one
InChI:
InChI=1S/C9H16ClNO/c1-8(10)9(12)11-6-4-2-3-5-7-11/h8H,2-7H2,1H3
InChI Key:
FZICYJAARJPVGH-UHFFFAOYSA-N
SMILES:
CC(C(=O)N1CCCCCC1)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.092g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.683g/mol
Monoisotopic Mass:
189.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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