AG00FGRL

7314-86-5 | Tricyclo[3.3.1.13,​7]​decane, 1,​3,​5,​7-​tetrabromo-

AG00FGRL

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CAS Number	7314-86-5
Catalog Number	AG00FGRL(AGN-PC-0JU46W)
Chemical Name	Tricyclo[3.3.1.13,​7]​decane, 1,​3,​5,​7-​tetrabromo-
IUPAC Name	1,3,5,7-tetrabromoadamantane
InChI	InChI=1S/C10H12Br4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2
InChI Key	SWVWJFWKWBFPID-UHFFFAOYSA-N
MDL Number	MFCD00193968
Molecular Formula	C10H12Br4
Molecular Weight	451.8183
SMILES	BrC12CC3(Br)CC(C2)(CC(C1)(C3)Br)Br
Synonyms	1,3,5,7-Tetrabromoadamantane, 7314-86-5, Tricyclo[3.3.1.13,7]decane, 1,3,5,7-tetrabromo-, EN300-51326, AG-664/01329049, AC1LCLYQ, AC1Q25DG, SCHEMBL548741, Tricyclo[3.3.1.13,7]decane,1,3,5,7-tetrabromo-, 1,2,3,4-Tetrabromo-adamantane, CTK5I6029, SWVWJFWKWBFPID-UHFFFAOYSA-N, 1,3,5,7-Tetrabromoadamantane #, ZINC690273, AKOS001027169, FCH1672441, Z56757726, F0035-0034, Tricyclo[3.3.1.1(3,7)]decane, 1,3,5,7-tetrabromo-, Adamantane, 1,3,5,7-tetrabromo-, CID632907, ZINC00690273,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	451.763g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	451.822g/mol
Monoisotopic Mass	447.767g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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