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Home > Boronic Acids > 737001-07-9
737001-07-9 | 3-Hydroxy-5-nitrophenylboronic acid
CAS No: 737001-07-9 Catalog No: AG00FFDH MDL No:MFCD05664060
Product Description
Catalog Number:
AG00FFDH
Chemical Name:
3-Hydroxy-5-nitrophenylboronic acid
CAS Number:
737001-07-9
Molecular Formula:
C6H6BNO5
Molecular Weight:
182.9265
MDL Number:
MFCD05664060
IUPAC Name:
(3-hydroxy-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H6BNO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9-11H
InChI Key:
UWOUWIYCKIKPFP-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.926g/mol
Monoisotopic Mass:
183.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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