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Home > Aldehydes > 1268163-62-7
1268163-62-7 | Benzaldehyde, 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1268163-62-7 Catalog No: AG000T9I MDL No:MFCD22493668
Product Description
Catalog Number:
AG000T9I
Chemical Name:
Benzaldehyde, 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1268163-62-7
Molecular Formula:
C13H16BNO5
Molecular Weight:
277.0808
MDL Number:
MFCD22493668
IUPAC Name:
2-nitro-4-(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)10-6-5-9(8-16)11(7-10)15(17)18/h5-8H,1-4H3
InChI Key:
KZGCWIWZCRTODT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
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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