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Home > Boronic Acids > 94242-81-6
94242-81-6 | (R)-BoroVal-(+)-Pinanediol-CF3CO2H
CAS No: 94242-81-6 Catalog No: AG00GUOG MDL No:
Product Description
Catalog Number:
AG00GUOG
Chemical Name:
(R)-BoroVal-(+)-Pinanediol-CF3CO2H
CAS Number:
94242-81-6
IUPAC Name:
2,2,2-trifluoroacetic acid;(1R)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethanamine
InChI:
InChI=1S/C12H22BNO2.C2HF3O2/c1-7(14)13-15-10-6-8-5-9(11(8,2)3)12(10,4)16-13;3-2(4,5)1(6)7/h7-10H,5-6,14H2,1-4H3;(H,6,7)/t7-,8-,9-,10+,12-;/m0./s1
InChI Key:
UIRPOZKMSMHJBQ-KXPSTEIISA-N
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
337.167g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.146g/mol
Monoisotopic Mass:
337.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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