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129769-09-1 | 2H-Azepin-2-one, 3,3-dichlorohexahydro-5,5-dimethyl-
CAS No: 129769-09-1 Catalog No: AG000TOH MDL No:
Product Description
Catalog Number:
AG000TOH
Chemical Name:
2H-Azepin-2-one, 3,3-dichlorohexahydro-5,5-dimethyl-
CAS Number:
129769-09-1
Molecular Formula:
C8H13Cl2NO
Molecular Weight:
210.1009
IUPAC Name:
3,3-dichloro-5,5-dimethylazepan-2-one
InChI:
InChI=1S/C8H13Cl2NO/c1-7(2)3-4-11-6(12)8(9,10)5-7/h3-5H2,1-2H3,(H,11,12)
InChI Key:
TTZKHMJRCOJTDF-UHFFFAOYSA-N
SMILES:
O=C1NCCC(CC1(Cl)Cl)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.098g/mol
Monoisotopic Mass:
209.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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