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Home > Other Heterocycles > 75400-50-9
75400-50-9 | 9-Borabicyclo[3.3.1]nonane, 9-[2-(4-methoxyphenyl)ethyl]-
CAS No: 75400-50-9 Catalog No: AG005BWD MDL No:
Product Description
Catalog Number:
AG005BWD
Chemical Name:
9-Borabicyclo[3.3.1]nonane, 9-[2-(4-methoxyphenyl)ethyl]-
CAS Number:
75400-50-9
Molecular Formula:
C17H25BO
Molecular Weight:
256.1908
IUPAC Name:
9-[2-(4-methoxyphenyl)ethyl]-9-borabicyclo[3.3.1]nonane
InChI:
InChI=1S/C17H25BO/c1-19-17-10-8-14(9-11-17)12-13-18-15-4-2-5-16(18)7-3-6-15/h8-11,15-16H,2-7,12-13H2,1H3
InChI Key:
NNPSORIGCRAFJB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCB1C2CCCC1CCC2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.2g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.196g/mol
Monoisotopic Mass:
256.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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