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Home > Boronic Acids > 1285533-35-8
1285533-35-8 | 4-nitrobenzo[c][1,2]oxaborol-1(3H)-ol
CAS No: 1285533-35-8 Catalog No: AG01DFCG MDL No:MFCD22393505
Product Description
Catalog Number:
AG01DFCG
Chemical Name:
4-nitrobenzo[c][1,2]oxaborol-1(3H)-ol
CAS Number:
1285533-35-8
Molecular Formula:
C7H6BNO4
Molecular Weight:
178.9378
MDL Number:
MFCD22393505
IUPAC Name:
1-hydroxy-4-nitro-3H-2,1-benzoxaborole
InChI:
InChI=1S/C7H6BNO4/c10-8-6-2-1-3-7(9(11)12)5(6)4-13-8/h1-3,10H,4H2
InChI Key:
RTDNSCFUOJSBLZ-UHFFFAOYSA-N
SMILES:
OB1OCc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.938g/mol
Monoisotopic Mass:
179.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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