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Home > Boronic Acids > 165881-36-7
165881-36-7 | 4,6-Methano-1,3,2-benzodioxaborole, 2-(4-bromobutyl)hexahydro-3a,5,5-trimethyl-, (3aS,4S,6S,7aR)-
CAS No: 165881-36-7 Catalog No: AG001WEN MDL No:MFCD09037500
Product Description
Catalog Number:
AG001WEN
Chemical Name:
4,6-Methano-1,3,2-benzodioxaborole, 2-(4-bromobutyl)hexahydro-3a,5,5-trimethyl-, (3aS,4S,6S,7aR)-
CAS Number:
165881-36-7
Molecular Formula:
C14H24BBrO2
Molecular Weight:
315.0542
MDL Number:
MFCD09037500
IUPAC Name:
(1S,2S,6R,8S)-4-(4-bromobutyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
InChI:
InChI=1S/C14H24BBrO2/c1-13(2)10-8-11(13)14(3)12(9-10)17-15(18-14)6-4-5-7-16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,14-/m0/s1
InChI Key:
DQGAIMVYOVPBSD-FMSGJZPZSA-N
SMILES:
BrCCCCB1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
314.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.058g/mol
Monoisotopic Mass:
314.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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