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Home > Boronic Acids > 1428323-97-0
1428323-97-0 | [3-Cyano-4-(morpholin-4-yl)phenyl]boronic acid
CAS No: 1428323-97-0 Catalog No: AG00HWP3 MDL No:MFCD27935739
Product Description
Catalog Number:
AG00HWP3
Chemical Name:
[3-Cyano-4-(morpholin-4-yl)phenyl]boronic acid
CAS Number:
1428323-97-0
Molecular Formula:
C11H13BN2O3
Molecular Weight:
232.0435
MDL Number:
MFCD27935739
IUPAC Name:
(3-cyano-4-morpholin-4-ylphenyl)boronic acid
InChI:
InChI=1S/C11H13BN2O3/c13-8-9-7-10(12(15)16)1-2-11(9)14-3-5-17-6-4-14/h1-2,7,15-16H,3-6H2
InChI Key:
LVFMJSMMUCOKOR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCOCC1)B(O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.046g/mol
Monoisotopic Mass:
232.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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