AG00HAB8

104224-63-7 | 2-Adamantyl-4-bromoanisole

AG00HAB8

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CAS Number	104224-63-7
Catalog Number	AG00HAB8(AGN-PC-0KRRV7)
Chemical Name	2-Adamantyl-4-bromoanisole
IUPAC Name	1-(5-bromo-2-methoxyphenyl)adamantane
InChI	InChI=1S/C17H21BrO/c1-19-16-3-2-14(18)7-15(16)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13H,4-6,8-10H2,1H3
InChI Key	QQAMHHZQONQBFZ-UHFFFAOYSA-N
MDL Number	MFCD03855308
Molecular Formula	C17H21BrO
Molecular Weight	321.2520
SMILES	BrC1=CC=C(OC)C(C24CC3CC(C4)CC(C3)C2)=C1
Synonyms	104224-63-7, 1-(5-bromo-2-methoxyphenyl)adamantane, 2-(1-Adamantyl)-4-bromoanisole, 1-(5-Bromo-2-methoxy-phenyl)adamantane, 2-(1-Adamantyl)-4-bromo anisole, 2-(1-Adamantane)-4-bromoanisole, Tricyclo[3.3.1.13,7]decane, 1-(5-bromo-2-methoxyphenyl)-, 2-(Adamantan-1-yl)-4-bromoanisole, 2-(Adamantan-1-yl)-4-bromo-1-methoxybenzene, PubChem23591, ACMC-1BPQP, AC1MMF5V, C17H21BrO, SCHEMBL178217, TRI007, SCHEMBL12635527, CTK7A5900, KS-00000NPF, 2-(1-adamantyl)-4bromo anisole, DTXSID30391054, QQAMHHZQONQBFZ-UHFFFAOYSA-N, BCP17031, ZINC4653425, ANW-15052, CA-304, MFCD03855308, STK664462, AKOS003351508, AKOS025310648, AB16832, AC-7765, AN-8643, CS-W009894, MCULE-1205378986, RTR-000963, TRA0078482, VZ23054, 2-adamantanyl-4-bromo-1-methoxybenzene, 1-(5-bromo-2-methoxyphenyl) adamantane, 1-(5-bromo-2-methoxyphenyl)-adamantane, NCGC00340352-01, AJ-51812, AK-88809, AS-13412, BC004943, I129, SC-22696, SY051028, 3-(1-adamantyl)-1-bromo-4-methoxybenzene, 3-(1-adamantyl)-4-methoxy-1-bromobenzene, ST2403228, ST4093178, TL8000177, TR-000963, 4CH-018315, FT-0642563, MFCD03855308 (97%), A-4314, AB01333004-02, 224A637, Q-101321, S01-0133, 1-(5-Bromo-2-methoxyphenyl)-tricyclo[3.3.1.13,7]decane, A3313/0140806, 1-(5-bromo-2-methoxyphenyl)tricyclo[3.3.1.1~3,7~]decane, 1-(5-BROMO-2-METHOXYPHENYL)-TRICYCLO[3.3.1.1(3,7)]DECANE, 2-ADAMANTYL-4-BROMOANISOLE, ZINC04653425, CID3285024, A1906, A2321, 1-(5-Bromo-2-methoxyphenyl)adamantane, 98% 5g,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	320.078g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	321.258g/mol
Monoisotopic Mass	320.078g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

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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