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Home > Boronic Acids > 850568-46-6
850568-46-6 | (4-Cyano-2-nitrophenyl)boronic acid
CAS No: 850568-46-6 Catalog No: AG004SHZ MDL No:MFCD04115646
Product Description
Catalog Number:
AG004SHZ
Chemical Name:
(4-Cyano-2-nitrophenyl)boronic acid
CAS Number:
850568-46-6
Molecular Formula:
C7H5BN2O4
Molecular Weight:
191.9366
MDL Number:
MFCD04115646
IUPAC Name:
(4-cyano-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H5BN2O4/c9-4-5-1-2-6(8(11)12)7(3-5)10(13)14/h1-3,11-12H
InChI Key:
YDIOTBNYNPBRFF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.937g/mol
Monoisotopic Mass:
192.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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