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Home > Boronic Acids > 1351054-91-5
1351054-91-5 | 2-Formyl-4-nitrophenylboronic acid pinacol ester
CAS No: 1351054-91-5 Catalog No: AG00HTVU MDL No:MFCD22493739
Product Description
Catalog Number:
AG00HTVU
Chemical Name:
2-Formyl-4-nitrophenylboronic acid pinacol ester
CAS Number:
1351054-91-5
Molecular Formula:
C13H16BNO5
Molecular Weight:
277.0808
MDL Number:
MFCD22493739
IUPAC Name:
5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI:
InChI=1S/C13H16BNO5/c1-12(2)13(3,4)20-14(19-12)11-6-5-10(15(17)18)7-9(11)8-16/h5-8H,1-4H3
InChI Key:
WKXQJVCGMUZAQZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.083g/mol
Monoisotopic Mass:
277.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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