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1468-56-0 | 2H-Azepin-2-one, 5-chlorohexahydro-
CAS No: 1468-56-0 Catalog No: AG001ECQ MDL No:MFCD19219355
Product Description
Catalog Number:
AG001ECQ
Chemical Name:
2H-Azepin-2-one, 5-chlorohexahydro-
CAS Number:
1468-56-0
Molecular Formula:
C6H10ClNO
Molecular Weight:
147.6027
MDL Number:
MFCD19219355
IUPAC Name:
5-chloroazepan-2-one
InChI:
InChI=1S/C6H10ClNO/c7-5-1-2-6(9)8-4-3-5/h5H,1-4H2,(H,8,9)
InChI Key:
MNVFGVVCVJVSNV-UHFFFAOYSA-N
SMILES:
ClC1CCNC(=O)CC1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.602g/mol
Monoisotopic Mass:
147.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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