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Home > Boronic Acids > 183282-45-3
183282-45-3 | Boronic acid, B-1H-benzotriazol-6-yl-
CAS No: 183282-45-3 Catalog No: AG0027GK MDL No:MFCD10697877
Product Description
Catalog Number:
AG0027GK
Chemical Name:
Boronic acid, B-1H-benzotriazol-6-yl-
CAS Number:
183282-45-3
Molecular Formula:
C6H6BN3O2
Molecular Weight:
162.9417
MDL Number:
MFCD10697877
IUPAC Name:
2H-benzotriazol-5-ylboronic acid
InChI:
InChI=1S/C6H6BN3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3,11-12H,(H,8,9,10)
InChI Key:
FXWWSHVAIPUGQM-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)[nH]nn2)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:
163.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
162.943g/mol
Monoisotopic Mass:
163.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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