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Home > Boronic Acids > 871332-70-6
871332-70-6 | (4-Chloro-3-(piperidine-1-carbonyl);phenyl);boronic acid
CAS No: 871332-70-6 Catalog No: AG008FBD MDL No:MFCD07783862
Product Description
Catalog Number:
AG008FBD
Chemical Name:
(4-Chloro-3-(piperidine-1-carbonyl);phenyl);boronic acid
CAS Number:
871332-70-6
Molecular Formula:
C12H15BClNO3
Molecular Weight:
267.5164
MDL Number:
MFCD07783862
IUPAC Name:
[4-chloro-3-(piperidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C12H15BClNO3/c14-11-5-4-9(13(17)18)8-10(11)12(16)15-6-2-1-3-7-15/h4-5,8,17-18H,1-3,6-7H2
InChI Key:
QNOMMSMMADZNCM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)N1CCCCC1)Cl)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.516g/mol
Monoisotopic Mass:
267.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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