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Home > Boronic Acids > 868997-86-8
868997-86-8 | (4-(Diisopropylcarbamoyl)pyridin-3-yl)boronic acid
CAS No: 868997-86-8 Catalog No: AG004PBW MDL No:MFCD18382916
Product Description
Catalog Number:
AG004PBW
Chemical Name:
(4-(Diisopropylcarbamoyl)pyridin-3-yl)boronic acid
CAS Number:
868997-86-8
Molecular Formula:
C12H19BN2O3
Molecular Weight:
250.1019
MDL Number:
MFCD18382916
IUPAC Name:
[4-[di(propan-2-yl)carbamoyl]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C12H19BN2O3/c1-8(2)15(9(3)4)12(16)10-5-6-14-7-11(10)13(17)18/h5-9,17-18H,1-4H3
InChI Key:
WXLFOUSVUPJCSH-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)c1ccncc1B(O)O)C(C)C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.149g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.105g/mol
Monoisotopic Mass:
250.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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