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Home > Boronic Acids > 85107-55-7
85107-55-7 | 4-Methoxycarbonyl-2-nitrophenylboronic acid
CAS No: 85107-55-7 Catalog No: AG008GJ8 MDL No:MFCD01632202
Product Description
Catalog Number:
AG008GJ8
Chemical Name:
4-Methoxycarbonyl-2-nitrophenylboronic acid
CAS Number:
85107-55-7
Molecular Formula:
C8H8BNO6
Molecular Weight:
224.9632
MDL Number:
MFCD01632202
IUPAC Name:
(4-methoxycarbonyl-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C8H8BNO6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4,12-13H,1H3
InChI Key:
SFEJGHJCGQNFQC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.963g/mol
Monoisotopic Mass:
225.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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