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Home > Boronic Acids > 1072945-08-4
1072945-08-4 | 4-hydroxy-3-nitrophenylboronic acid, pinacol ester
CAS No: 1072945-08-4 Catalog No: AG003LIA MDL No:MFCD08458188
Product Description
Catalog Number:
AG003LIA
Chemical Name:
4-hydroxy-3-nitrophenylboronic acid, pinacol ester
CAS Number:
1072945-08-4
Molecular Formula:
C12H16BNO5
Molecular Weight:
265.0701
MDL Number:
MFCD08458188
IUPAC Name:
2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C12H16BNO5/c1-11(2)12(3,4)19-13(18-11)8-5-6-10(15)9(7-8)14(16)17/h5-7,15H,1-4H3
InChI Key:
YCZPFDHFMRUGAF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.072g/mol
Monoisotopic Mass:
265.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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