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Home > Boronic Acids > 860034-09-9
860034-09-9 | (4-Methoxy-2-nitrophenyl);boronic acid
CAS No: 860034-09-9 Catalog No: AG008FV9 MDL No:MFCD09878340
Product Description
Catalog Number:
AG008FV9
Chemical Name:
(4-Methoxy-2-nitrophenyl);boronic acid
CAS Number:
860034-09-9
Molecular Formula:
C7H8BNO5
Molecular Weight:
196.9531
MDL Number:
MFCD09878340
IUPAC Name:
(4-methoxy-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4,10-11H,1H3
InChI Key:
PFTLRSTZYYFBNF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.953g/mol
Monoisotopic Mass:
197.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 4-Meth-oxy-2-nitro-4'-(trifluoro-meth-yl)biphen-yl. | Acta crystallographica. Section E, Structure reports online 20111101 |
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