Bornyl Bromide, Pract.

CAT: 0127-OR1043926-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043926-02Size:100 g

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CAS Number

4443-48-5

Synonyms

2-Bromobornane

Purity

95%

Chemical Information

Bornyl bromide

CAS Number	4443-48-5
PubChem CID	138249
IUPAC Name	2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane
Molecular Formula	C10H17Br
Molecular Weight	217.15
XLogP	4.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	185

SMILES

CC1(C2CCC1(C(C2)Br)C)C

InChI

InChI=1S/C10H17Br/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6H2,1-3H3

InChIKey

OTOQMOVZIUGCQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4443-48-5

CID: 138249

Formula: C10H17Br

MW: 217.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.15
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	216.05136
Monoisotopic Mass	216.05136
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	185
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
OR1043901-01	2-Butoxyethyl Bromide, Pract.
BUP14902	Bornyl acetate
BUP18972	(-) -Bornyl acetate
OR1030105-01	Bornyl Acetate
BUP11263-01	(+) -Bornyl Acetate
OR1043876-01	Nickel alizarinate, Pract.
OR1043646-01	1-Pyrenesulfonic Acid, Pract.
OR1043723-01	1-Bromo-3-buten-2-ol, Pract.
OR1042801-01	Triethylmethylammonium bromide
OR1075900	Cyclobutylmagnesium bromide

Catalog	Name
B17335	Bornyl bromide Practical Grade
053825	Citronellol Pract.
053815	Citronellal Pract.
043765	Capsaicin Pract
FB74112	(+/-) -Bornyl acetate
TBZ2865	Bornyl acetate
HY-W706470-01	(-) -Bornyl ferulate
TN1448-01	(-) -Bornyl acetate
TRC-B675535-250MG	(+)-Bornyl Acetate
TRC-B675530-10G	(-)-Bornyl Acetate