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Home > Boronic Acids > 397843-58-2

397843-58-2

397843-58-2 | (3-(Morpholinomethyl)phenyl)boronic acid

CAS No: 397843-58-2 Catalog No: AG0077D0 MDL No:MFCD10698498

Product Description

Catalog Number:
AG0077D0
Chemical Name:
(3-(Morpholinomethyl)phenyl)boronic acid
CAS Number:
397843-58-2
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD10698498
IUPAC Name:
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8,14-15H,4-7,9H2
InChI Key:
VTSDPGUSDVMXDN-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)CN1CCOCC1)O

Properties

Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.063g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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