Name: Name:Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(bromomethyl)-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00HVBK
Rating: 90 (10 reviews)

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(bromomethyl)-,1,1-dimethylethyl ester

CAS No.:

138732-34-0

Catalog Number:

AG00HVBK

Molecular Formula:

C11H17BrO2

Molecular Weight:

261.1555

Catalog Number:

AG00HVBK

Chemical Name:

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(bromomethyl)-,1,1-dimethylethyl ester

CAS Number:

138732-34-0

Molecular Formula:

C11H17BrO2

Molecular Weight:

261.1555

MDL Number:

MFCD29037328

IUPAC Name:

tert-butyl 3-(bromomethyl)bicyclo[1.1.1]pentane-1-carboxylate

InChI:

InChI=1S/C11H17BrO2/c1-9(2,3)14-8(13)11-4-10(5-11,6-11)7-12/h4-7H2,1-3H3

InChI Key:

FMJZFIHFODXOHW-UHFFFAOYSA-N

SMILES:

BrCC12CC(C1)(C2)C(=O)OC(C)(C)C

Complexity:

258

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.159g/mol

Monoisotopic Mass:

260.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4