1-Methyl-2-Bromo Adamantane

CAT: 1596-AR-A05592-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05592-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

28996-01-2

Synonyms

(1r,3s,5R,7S) -2-bromo-1-methyladamantane

Molecular Formula

C11H7Br

Molecular Weight

229.16

API Name

Adamantane

Chemical Information

2-Bromo-1-methyladamantane

CAS Number	28996-01-2
PubChem CID	21395335
IUPAC Name	2-bromo-1-methyladamantane
Molecular Formula	C11H17Br
Molecular Weight	229.16
XLogP	3.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	197

SMILES

CC12CC3CC(C1)CC(C3)C2Br

InChI

InChI=1S/C11H17Br/c1-11-5-7-2-8(6-11)4-9(3-7)10(11)12/h7-10H,2-6H2,1H3

InChIKey

IWCSHFFFRLZBKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28996-01-2

CID: 21395335

Formula: C11H17Br

MW: 229.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.16
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	228.05136
Monoisotopic Mass	228.05136
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	197
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A01416-01	1- (4-bromo-2-methoxyphenyl) adamantane
AR-A01396-01	1-Acetylamino-3-Methyl Adamantane
AR-A05593-01	1,2-Dibromo Adamantane
AR-M01351-01	1,2-Dimethyl Adamantane
AR-A04946-01	Adamantane-1-carboxamide
AR-A01397-01	Adamantane
AR-B08183-01	(2E) -1-Bromo-2-Methyl-2-Butene
AR-B08184-01	3-Bromo-2-methyl-1-Butene
AR-M01352-01	1,4-Dimethyl Adamantane
AR-A01392-01	1- (Methoxyacetylamino) Adamantane (MAAA)

Catalog	Name
FM25466-01	1-Methyl adamantane
sc-255748A	1- (5-Bromo-2-methoxyphenyl) adamantane
OR315780-01	Methyl adamantane-1-carboxylate
sc-224558	1-Bromo-3- (bromomethyl) adamantane
2484750-93-6-01	1- (2'-Bromo-[1,1'-biphenyl]-4-yl) adamantane
OR26481	1-methyl-3- (nitrooxy) adamantane
AQ TC 1044-01	Methyl N- (1-adamantyl) adamantane-2-carboximidate
424084-01	3-Bromo-1-adamantane Carboxylic Acid
PC7133	1-[5-Bromo-2- (2,2,2-trifluoroethoxy) phenyl]adamantane
AAA77337	1- (2-Bromoethyl) -adamantane