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Home > Boronic Acids > 1451393-20-6
1451393-20-6 | (7-chloro-1H-indazol-4-yl)boronic acid
CAS No: 1451393-20-6 Catalog No: AG01DDXY MDL No:MFCD22628222
Product Description
Catalog Number:
AG01DDXY
Chemical Name:
(7-chloro-1H-indazol-4-yl)boronic acid
CAS Number:
1451393-20-6
Molecular Formula:
C7H6BClN2O2
Molecular Weight:
196.3987
MDL Number:
MFCD22628222
IUPAC Name:
(7-chloro-1H-indazol-4-yl)boronic acid
InChI:
InChI=1S/C7H6BClN2O2/c9-6-2-1-5(8(12)13)4-3-10-11-7(4)6/h1-3,12-13H,(H,10,11)
InChI Key:
WCYMWBJRNPAIOY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c2c1cn[nH]2)Cl)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.397g/mol
Monoisotopic Mass:
196.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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