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Home > Boronic Acids > 647853-31-4
647853-31-4 | Boronic acid, (2-methyl-4-pyrimidinyl)- (9CI)
CAS No: 647853-31-4 Catalog No: AG00EIJJ MDL No:
Product Description
Catalog Number:
AG00EIJJ
Chemical Name:
Boronic acid, (2-methyl-4-pyrimidinyl)- (9CI)
CAS Number:
647853-31-4
Molecular Formula:
C5H7BN2O2
Molecular Weight:
137.9323
IUPAC Name:
(2-methylpyrimidin-4-yl)boronic acid
InChI:
InChI=1S/C5H7BN2O2/c1-4-7-3-2-5(8-4)6(9)10/h2-3,9-10H,1H3
InChI Key:
ARAPPZBNPJIAQG-UHFFFAOYSA-N
SMILES:
Cc1nccc(n1)B(O)O
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.933g/mol
Monoisotopic Mass:
138.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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