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426268-09-9 | BENZO[C][1,2,5]OXADIAZOLE-5-BORONIC ACID
CAS No: 426268-09-9 Catalog No: AG00C76V MDL No:MFCD07186239
Product Description
Catalog Number:
AG00C76V
Chemical Name:
BENZO[C][1,2,5]OXADIAZOLE-5-BORONIC ACID
CAS Number:
426268-09-9
Molecular Formula:
C6H5BN2O3
Molecular Weight:
163.9265
MDL Number:
MFCD07186239
IUPAC Name:
2,1,3-benzoxadiazol-5-ylboronic acid
InChI:
InChI=1S/C6H5BN2O3/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3,10-11H
InChI Key:
CHYMBQMSEFLESI-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)non2)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.927g/mol
Monoisotopic Mass:
164.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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