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Home > Boronic Acids > 142172-51-8

142172-51-8

142172-51-8 | 1,3,2-Benzodioxaborole, 2-(4-bromobutyl)-

CAS No: 142172-51-8 Catalog No: AG001HW9 MDL No:MFCD01863716

Product Description

Catalog Number:
AG001HW9
Chemical Name:
1,3,2-Benzodioxaborole, 2-(4-bromobutyl)-
CAS Number:
142172-51-8
Molecular Formula:
C10H12BBrO2
Molecular Weight:
254.9161
MDL Number:
MFCD01863716
IUPAC Name:
2-(4-bromobutyl)-1,3,2-benzodioxaborole
InChI:
InChI=1S/C10H12BBrO2/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8H2
InChI Key:
OCRCQJNMXARNMQ-UHFFFAOYSA-N
SMILES:
BrCCCCB1Oc2c(O1)cccc2

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.011g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.918g/mol
Monoisotopic Mass:
254.011g/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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