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1234575-68-8 | 8-[(1S,2S,6R,8S)-6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]quinoline
CAS No: 1234575-68-8 Catalog No: AG00J0IJ MDL No:MFCD30717695
Product Description
Catalog Number:
AG00J0IJ
Chemical Name:
8-[(1S,2S,6R,8S)-6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]quinoline
CAS Number:
1234575-68-8
Molecular Formula:
C19H22BNO2
Molecular Weight:
307.1945
MDL Number:
MFCD30717695
IUPAC Name:
8-[(1R,2R,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]quinoline
InChI:
InChI=1S/C19H22BNO2/c1-18(2)13-10-15(18)19(3)16(11-13)22-20(23-19)14-8-4-6-12-7-5-9-21-17(12)14/h4-9,13,15-16H,10-11H2,1-3H3/t13-,15+,16+,19+/m0/s1
InChI Key:
UZIGHNLWDHIPOR-GKDNMFGBSA-N
SMILES:
C[C@]12C[C@@H]3C[C@H]([C@@H]2OB(O1)c1cccc2c1nccc2)C3(C)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
307.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.2g/mol
Monoisotopic Mass:
307.174g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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