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1164100-83-7 | Boronic acid, B-[5-(aminocarbonyl)-2-pyridinyl]-
CAS No: 1164100-83-7 Catalog No: AG000CEU MDL No:
Product Description
Catalog Number:
AG000CEU
Chemical Name:
Boronic acid, B-[5-(aminocarbonyl)-2-pyridinyl]-
CAS Number:
1164100-83-7
Molecular Formula:
C6H7BN2O3
Molecular Weight:
165.9424
IUPAC Name:
(5-carbamoylpyridin-2-yl)boronic acid
InChI:
InChI=1S/C6H7BN2O3/c8-6(10)4-1-2-5(7(11)12)9-3-4/h1-3,11-12H,(H2,8,10)
InChI Key:
AGBSBEROHUIBPQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cn1)C(=O)N)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.943g/mol
Monoisotopic Mass:
166.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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