AG002D4G

20098-17-3 | Tricyclo[3.3.1.13,7]decan-2-one, 5-chloro-

AG002D4G

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CAS Number	20098-17-3
Catalog Number	AG002D4G(AGN-PC-0077TW)
Chemical Name	Tricyclo[3.3.1.13,7]decan-2-one, 5-chloro-
IUPAC Name	5-chloroadamantan-2-one
InChI	InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2
InChI Key	JPEOUSFBWXVGFX-UHFFFAOYSA-N
MDL Number	MFCD00798599
Molecular Formula	C10H13ClO
Molecular Weight	184.6626
NSC Number	339495
SMILES	ClC12CC3C(C(CC(C1)C3)C2)=O
Synonyms	5-Chloro-2-adamantanone, 5-chloroadamantan-2-one, 20098-17-3, 5-chloro-2-adamantone, Adamantan-4-one, 1-chloro, JPEOUSFBWXVGFX-UHFFFAOYSA-N, AK129930, NSC339495, ACMC-1CLJC, 5-chloro-2 adamantanone, 8-chloroadamantan-2-one, AC1L7FAH, 5-chloroadamantane-2-one, 5-chloranyladamantan-2-one, SCHEMBL232917, CTK1A1869, DTXSID80319081, ALBB-013742, KS-00000FX2, ZX-AN012508, ANW-23913, CC-796, AKOS001484831, AM84691, FCH1678717, MCULE-2630227319, NSC-339495, VZ30194, AS-12161, SC-98965, AB0011423, AX8012102, DB-002594, TR-009357, FT-0637946, ST50825226, M-2523, A814239, Tricyclo[3.3.1.13,7]decan-2-one, 5-chloro-, I14-9375, tricyclo[3.3.1.1~3,7~]decan-2-one, 5-chloro-, C10H13ClO, CID334400, MFCD00798599, ACN-048250, C2140,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.065g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.663g/mol
Monoisotopic Mass	184.065g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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