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Home > Boronic Acids > 913835-33-3
913835-33-3 | (3-Cyano-5-nitrophenyl)boronic acid
CAS No: 913835-33-3 Catalog No: AG006NKR MDL No:MFCD03411554
Product Description
Catalog Number:
AG006NKR
Chemical Name:
(3-Cyano-5-nitrophenyl)boronic acid
CAS Number:
913835-33-3
Molecular Formula:
C7H5BN2O4
Molecular Weight:
191.9366
MDL Number:
MFCD03411554
IUPAC Name:
(3-cyano-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H5BN2O4/c9-4-5-1-6(8(11)12)3-7(2-5)10(13)14/h1-3,11-12H
InChI Key:
QUEXUUUNGPZTPN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(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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