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Home > Boronic Acids > 957120-55-7
957120-55-7 | (3-Chloro-5-(morpholine-4-carbonyl)phenyl)boronic acid
CAS No: 957120-55-7 Catalog No: AG0038IV MDL No:MFCD09800860
Product Description
Catalog Number:
AG0038IV
Chemical Name:
(3-Chloro-5-(morpholine-4-carbonyl)phenyl)boronic acid
CAS Number:
957120-55-7
Molecular Formula:
C11H13BClNO4
Molecular Weight:
269.4892
MDL Number:
MFCD09800860
IUPAC Name:
[3-chloro-5-(morpholine-4-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BClNO4/c13-10-6-8(5-9(7-10)12(16)17)11(15)14-1-3-18-4-2-14/h5-7,16-17H,1-4H2
InChI Key:
ZXFMDBGQTVWQQY-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)B(O)O)C(=O)N1CCOCC1
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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