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Home > Boronic Acids > 850589-49-0
850589-49-0 | (3-Chloro-4-(morpholine-4-carbonyl)phenyl)boronic acid
CAS No: 850589-49-0 Catalog No: AG004YHP MDL No:MFCD07363774
Product Description
Catalog Number:
AG004YHP
Chemical Name:
(3-Chloro-4-(morpholine-4-carbonyl)phenyl)boronic acid
CAS Number:
850589-49-0
Molecular Formula:
C11H13BClNO4
Molecular Weight:
269.4892
MDL Number:
MFCD07363774
IUPAC Name:
[3-chloro-4-(morpholine-4-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BClNO4/c13-10-7-8(12(16)17)1-2-9(10)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2
InChI Key:
HPRBSCDTOODIQX-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1C(=O)N1CCOCC1)B(O)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.488g/mol
Monoisotopic Mass:
269.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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