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Home > Boronic Acids > 118803-40-0
118803-40-0 | (2-HYDROXYMETHYL-5-NITRO)BENZENEBORONIC ACID DEHYDRATE
CAS No: 118803-40-0 Catalog No: AG008REX MDL No:MFCD04115657
Product Description
Catalog Number:
AG008REX
Chemical Name:
(2-HYDROXYMETHYL-5-NITRO)BENZENEBORONIC ACID DEHYDRATE
CAS Number:
118803-40-0
Molecular Formula:
C7H6BNO4
Molecular Weight:
178.9378
MDL Number:
MFCD04115657
IUPAC Name:
1-hydroxy-6-nitro-3H-2,1-benzoxaborole
InChI:
InChI=1S/C7H6BNO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3,10H,4H2
InChI Key:
GFFKBQCIGADRSN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)B(O)OC2
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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