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Home > Boronic Acids > 85107-56-8
85107-56-8 | (4-(Methoxycarbonyl);-3-nitrophenyl);boronic acid
CAS No: 85107-56-8 Catalog No: AG008GJ7 MDL No:MFCD12032027
Product Description
Catalog Number:
AG008GJ7
Chemical Name:
(4-(Methoxycarbonyl);-3-nitrophenyl);boronic acid
CAS Number:
85107-56-8
Molecular Formula:
C8H8BNO6
Molecular Weight:
224.9632
MDL Number:
MFCD12032027
IUPAC Name:
(4-methoxycarbonyl-3-nitrophenyl)boronic acid
InChI:
InChI=1S/C8H8BNO6/c1-16-8(11)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4,12-13H,1H3
InChI Key:
NLNDQDNATQPFEC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[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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