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1264153-68-5 | Boronic acid, B-[6-(ethylmethylamino)-2-pyridinyl]-
CAS No: 1264153-68-5 Catalog No: AG000SRU MDL No:MFCD09878974
Product Description
Catalog Number:
AG000SRU
Chemical Name:
Boronic acid, B-[6-(ethylmethylamino)-2-pyridinyl]-
CAS Number:
1264153-68-5
Molecular Formula:
C8H13BN2O2
Molecular Weight:
180.0120
MDL Number:
MFCD09878974
IUPAC Name:
[6-[ethyl(methyl)amino]pyridin-2-yl]boronic acid
InChI:
InChI=1S/C8H13BN2O2/c1-3-11(2)8-6-4-5-7(10-8)9(12)13/h4-6,12-13H,3H2,1-2H3
InChI Key:
PTSLTPQDFFYKEN-UHFFFAOYSA-N
SMILES:
CCN(c1cccc(n1)B(O)O)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.107g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.014g/mol
Monoisotopic Mass:
180.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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