AG0036RS

702-77-2 | 1-BROMO-3-METHYLADAMANTANE

AG0036RS

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CAS Number	702-77-2
Catalog Number	AG0036RS(AGN-PC-0JR58I)
Chemical Name	1-BROMO-3-METHYLADAMANTANE
IUPAC Name	1-bromo-3-methyladamantane
InChI	InChI=1S/C11H17Br/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7H2,1H3
InChI Key	MXAYGTASSPYUJB-UHFFFAOYSA-N
MDL Number	MFCD00167799
Molecular Formula	C11H17Br
Molecular Weight	229.1567
NSC Number	255329
SMILES	CC12CC3(Br)CC(C2)CC(C3)C1
Synonyms	1-bromo-3-methyladamantane, 702-77-2, 1-bromo-3-methyl-adamantane, NSC255329, 1-Methyl-3-bromoadamantane, AC1L8NI4, SCHEMBL4887907, CTK5D2162, KS-00001AKB, DTXSID70330447, MXAYGTASSPYUJB-UHFFFAOYSA-N, 3-BROMO-1-METHYL-ADAMANTANE, MFCD00167799, AKOS022173390, FCH1835264, MCULE-8390202872, NSC 255329, NSC-255329, AM20070510, FT-0663770, X6623, 1-Bromo-3-methyl-tricyclo[3.3.1.13,7]decane, Tricyclo[3.3.1.13,7]decane,1-bromo-3-methyl-, S14-2985, Tricyclo[3.3.1.13,7]decane, 1-bromo-3-methyl-, C11H17Br, CID429462, ACN-053889,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.161g/mol
Monoisotopic Mass	228.051g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340
UN Code

Certificate of Analysis

Lot Number