AG003DX1

5122-82-7 | 1-(Adamantan-1-yl)-2-bromoethanone

AG003DX1

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CAS Number	5122-82-7
Catalog Number	AG003DX1(AGN-PC-0JNO2N)
Chemical Name	1-(Adamantan-1-yl)-2-bromoethanone
EC Number	225-860-6
IUPAC Name	1-(1-adamantyl)-2-bromoethanone
InChI	InChI=1S/C12H17BrO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChI Key	KWCDIRFSULAMOC-UHFFFAOYSA-N
MDL Number	MFCD00074740
Molecular Formula	C12H17BrO
Molecular Weight	257.1668
SMILES	BrCC(C12CC3CC(C2)CC(C3)C1)=O
Synonyms	1-Adamantyl bromomethyl ketone, 5122-82-7, 1-(adamantan-1-yl)-2-bromoethanone, 1-(Bromoacetyl)adamantane, 1-(1-Adamantyl)-2-bromoethanone, Bromomethyl adamantyl ketone, Bromomethyl 1-adamantyl ketone, EINECS 225-860-6, Ethanone, 2-bromo-1-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, KWCDIRFSULAMOC-UHFFFAOYSA-N, (Adamant-1-yl) (bromomethyl) ketone, 2-Bromo-1-tricyclo(3.3.1.1(sup 3,7))dec-1-ylethanone, 1-(adamantan-1-yl)-2-bromoethan-1-one, Ketone, 1-adamantyl bromomethyl (6CI,7CI,8CI), Bromomethyl tricyclo(3.3.1.13,7)dec-1-yl ketone, Ethanone, 2-bromo-1-tricyclo[3.3.1.13,7]dec-1-yl-, 1-adamantanyl-2-bromoethan-1-one, ACMC-20aoyo, 1-(1-adamantyl)-2-bromoethan-1-one, PubChem8755, Enamine_005805, adamantyl bromomethyl ketone, AC1Q27DP, 1-admantyl bromomethyl ketone, SCHEMBL354359, AC1L543E, RSCBB000928, adamantan-1-yl bromomethyl ketone, DTXSID80199229, HMS1410H19, ZINC154738, 1-adamantan-1-yl-2-bromo-ethanone, ALBB-016029, CA-753, MFCD00074740, SBB016590, STL353322, 1-(1-Adamantyl)-2-bromoethanone #, 1-Adamantyl bromomethyl ketone, 97%, AKOS000271155, MCULE-6924478366, TRA0037993, VZ21100, 1-(Adamant-1-yl)-2-bromoethan-1-one, IDI1_008040, AJ-13365, BC003368, LS-67227, ZB005864, AB0020728, TC-172023, FT-0605462, R1960, ST45023926, V1722, KS-00001964, 1-((3r,5r,7r)-adamantan-1-yl)-2-bromoethanone, 122A827, I14-9420, F1928-0001, 2-bromo-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone, Ethanone, 2-bromo-1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-, ethanone, 2-bromo-1-tricyclo[3.3.1.1~3,7~]dec-1-yl-, C12H17BrO, C12-H17-Br-O, CID197820, Bromomethyl tricyclo[3.3.1.13,7]dec-1-yl ketone, Ethanone, 2-bromo-1-tricyclo(3.3.1.1(3,7)-)dec-1-yl-,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.046g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.171g/mol
Monoisotopic Mass	256.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number