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Home > Boronic Acids > 1704069-53-3

1704069-53-3

1704069-53-3 | (3-(1-Morpholinoethyl)phenyl)boronic acid

CAS No: 1704069-53-3 Catalog No: AG00AR8G MDL No:MFCD28384339

Product Description

Catalog Number:
AG00AR8G
Chemical Name:
(3-(1-Morpholinoethyl)phenyl)boronic acid
CAS Number:
1704069-53-3
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
MDL Number:
MFCD28384339
IUPAC Name:
[3-(1-morpholin-4-ylethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO3/c1-10(14-5-7-17-8-6-14)11-3-2-4-12(9-11)13(15)16/h2-4,9-10,15-16H,5-8H2,1H3
InChI Key:
BOELVXGEIYBQOT-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)B(O)O)N1CCOCC1

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.138g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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