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23062-51-3 | Bicyclo[2.2.2]octane-1-carboxylic acid, 4-bromo-, methyl ester
CAS No: 23062-51-3 Catalog No: AG002M3A MDL No:MFCD22577785
Product Description
Catalog Number:
AG002M3A
Chemical Name:
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-bromo-, methyl ester
CAS Number:
23062-51-3
Molecular Formula:
C10H15BrO2
Molecular Weight:
247.1289
MDL Number:
MFCD22577785
IUPAC Name:
methyl 4-bromobicyclo[2.2.2]octane-1-carboxylate
InChI:
InChI=1S/C10H15BrO2/c1-13-8(12)9-2-5-10(11,6-3-9)7-4-9/h2-7H2,1H3
InChI Key:
QPKJFWIGJBWLTB-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCC(CC1)(CC2)Br
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.132g/mol
Monoisotopic Mass:
246.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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