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Home > Boronic Acids > 1256358-64-1

1256358-64-1

1256358-64-1 | Boronic acid, B-[3-[(cyclohexyloxy)methyl]phenyl]-

CAS No: 1256358-64-1 Catalog No: AG000O5J MDL No:MFCD16198469

Product Description

Catalog Number:
AG000O5J
Chemical Name:
Boronic acid, B-[3-[(cyclohexyloxy)methyl]phenyl]-
CAS Number:
1256358-64-1
Molecular Formula:
C13H19BO3
Molecular Weight:
234.0992
MDL Number:
MFCD16198469
IUPAC Name:
[3-(cyclohexyloxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H19BO3/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h4-6,9,13,15-16H,1-3,7-8,10H2
InChI Key:
HWXMWQGTMQLXJQ-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COC1CCCCC1)O

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.143g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.102g/mol
Monoisotopic Mass:
234.143g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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