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Home > Boronic Acids > 913835-45-7

913835-45-7

913835-45-7 | (4-((2-Morpholinoethyl)carbamoyl)phenyl)boronic acid

CAS No: 913835-45-7 Catalog No: AG0036S7 MDL No:MFCD09027219

Product Description

Catalog Number:
AG0036S7
Chemical Name:
(4-((2-Morpholinoethyl)carbamoyl)phenyl)boronic acid
CAS Number:
913835-45-7
Molecular Formula:
C13H19BN2O4
Molecular Weight:
278.1120
MDL Number:
MFCD09027219
IUPAC Name:
[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H19BN2O4/c17-13(11-1-3-12(4-2-11)14(18)19)15-5-6-16-7-9-20-10-8-16/h1-4,18-19H,5-10H2,(H,15,17)
InChI Key:
SFJAUBYTKBOMQG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NCCN1CCOCC1)O

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.144g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
278.115g/mol
Monoisotopic Mass:
278.144g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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