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Home > Boronic Acids > 1184259-08-2
1184259-08-2 | 3-ForMyl-4-nitrophenyl boronicacid pinacol ester
CAS No: 1184259-08-2 Catalog No: AG00948X MDL No:MFCD22493666
Product Description
Catalog Number:
AG00948X
Chemical Name:
3-ForMyl-4-nitrophenyl boronicacid pinacol ester
CAS Number:
1184259-08-2
Molecular Formula:
C13H16BNO5
Molecular Weight:
277.0808
MDL Number:
MFCD22493666
IUPAC Name:
2-nitro-5-(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)10-5-6-11(15(17)18)9(7-10)8-16/h5-8H,1-4H3
InChI Key:
PQSNQQFRGFGLIV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1[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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