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Home > Boronic Acids > 80500-28-3
80500-28-3 | 4-Borono-2-nitrobenzoic acid
CAS No: 80500-28-3 Catalog No: AG008MG0 MDL No:MFCD10696661
Product Description
Catalog Number:
AG008MG0
Chemical Name:
4-Borono-2-nitrobenzoic acid
CAS Number:
80500-28-3
Molecular Formula:
C7H6BNO6
Molecular Weight:
210.9366
MDL Number:
MFCD10696661
IUPAC Name:
4-borono-2-nitrobenzoic acid
InChI:
InChI=1S/C7H6BNO6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3,12-13H,(H,10,11)
InChI Key:
APQGIZKNZHGXTG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)O)B(O)O
NSC Number:
310141
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.936g/mol
Monoisotopic Mass:
211.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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