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Home > Boronic Acids > 864770-82-1
864770-82-1 | 1-N-Boc-3-methyl-indazole-5-boronic acid pinacol ester
CAS No: 864770-82-1 Catalog No: AG00H13J MDL No:MFCD13195073
Product Description
Catalog Number:
AG00H13J
Chemical Name:
1-N-Boc-3-methyl-indazole-5-boronic acid pinacol ester
CAS Number:
864770-82-1
Molecular Formula:
C19H27BN2O4
Molecular Weight:
358.2397
MDL Number:
MFCD13195073
IUPAC Name:
tert-butyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate
InChI:
InChI=1S/C19H27BN2O4/c1-12-14-11-13(20-25-18(5,6)19(7,8)26-20)9-10-15(14)22(21-12)16(23)24-17(2,3)4/h9-11H,1-8H3
InChI Key:
FQAORYQTZLGOBK-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.206g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.245g/mol
Monoisotopic Mass:
358.206g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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