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Home > Boronic Acids > 101084-81-5
101084-81-5 | Benzoic acid, 3-borono-5-nitro-
CAS No: 101084-81-5 Catalog No: AG0003P8 MDL No:MFCD00757433
Product Description
Catalog Number:
AG0003P8
Chemical Name:
Benzoic acid, 3-borono-5-nitro-
CAS Number:
101084-81-5
Molecular Formula:
C7H6BNO6
Molecular Weight:
210.9366
MDL Number:
MFCD00757433
IUPAC Name:
3-borono-5-nitrobenzoic acid
InChI:
InChI=1S/C7H6BNO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,12-13H,(H,10,11)
InChI Key:
WNIFCLWDGNHGMX-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)C(=O)O)[N+](=O)[O-])O
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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