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14575-01-0 | Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-bromo-5-methyl-, methyl ester
CAS No: 14575-01-0 Catalog No: AG001DDI MDL No:
Product Description
Catalog Number:
AG001DDI
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-bromo-5-methyl-, methyl ester
CAS Number:
14575-01-0
Molecular Formula:
C13H19BrO2
Molecular Weight:
287.1928
IUPAC Name:
methyl 3-bromo-5-methyladamantane-1-carboxylate
InChI:
InChI=1S/C13H19BrO2/c1-11-3-9-4-12(6-11,10(15)16-2)8-13(14,5-9)7-11/h9H,3-8H2,1-2H3
InChI Key:
YWJNXVRXYMATJJ-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC3CC(C1)(C)CC(C2)(C3)Br
EC Number:
238-614-8
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.197g/mol
Monoisotopic Mass:
286.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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