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Home > Boronic Acids > 864550-94-7

864550-94-7

864550-94-7 | Boronic acid, (9-hexyl-9H-carbazol-3-yl)-

CAS No: 864550-94-7 Catalog No: AG004N00 MDL No:

Product Description

Catalog Number:
AG004N00
Chemical Name:
Boronic acid, (9-hexyl-9H-carbazol-3-yl)-
CAS Number:
864550-94-7
Molecular Formula:
C18H22BNO2
Molecular Weight:
295.1838
IUPAC Name:
(9-hexylcarbazol-3-yl)boronic acid
InChI:
InChI=1S/C18H22BNO2/c1-2-3-4-7-12-20-17-9-6-5-8-15(17)16-13-14(19(21)22)10-11-18(16)20/h5-6,8-11,13,21-22H,2-4,7,12H2,1H3
InChI Key:
JXSLSKFDEWKMLE-UHFFFAOYSA-N
SMILES:
CCCCCCn1c2ccc(cc2c2c1cccc2)B(O)O

Properties

Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.174g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.189g/mol
Monoisotopic Mass:
295.174g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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