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Home > Boronic Acids > 850568-58-0
850568-58-0 | (4-((Benzyloxy)carbonyl)-2-nitrophenyl)boronic acid
CAS No: 850568-58-0 Catalog No: AG004PAF MDL No:MFCD02179461
Product Description
Catalog Number:
AG004PAF
Chemical Name:
(4-((Benzyloxy)carbonyl)-2-nitrophenyl)boronic acid
CAS Number:
850568-58-0
Molecular Formula:
C14H12BNO6
Molecular Weight:
301.0592
MDL Number:
MFCD02179461
IUPAC Name:
(2-nitro-4-phenylmethoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C14H12BNO6/c17-14(22-9-10-4-2-1-3-5-10)11-6-7-12(15(18)19)13(8-11)16(20)21/h1-8,18-19H,9H2
InChI Key:
WCPSHLUESXPJCV-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])B(O)O)OCc1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.061g/mol
Monoisotopic Mass:
301.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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