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Home > Boronic Acids > 1228182-97-5
1228182-97-5 | 4-(1H-1,2,3-Triazol-1-Yl)Phenylboronic Acid
CAS No: 1228182-97-5 Catalog No: AG00HH0F MDL No:MFCD13189964
Product Description
Catalog Number:
AG00HH0F
Chemical Name:
4-(1H-1,2,3-Triazol-1-Yl)Phenylboronic Acid
CAS Number:
1228182-97-5
Molecular Formula:
C8H8BN3O2
Molecular Weight:
188.9790
MDL Number:
MFCD13189964
IUPAC Name:
[4-(triazol-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BN3O2/c13-9(14)7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6,13-14H
InChI Key:
JGDSXNDHLOAJHG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)n1ccnn1)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.981g/mol
Monoisotopic Mass:
189.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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