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Home > Boronic Acids > 1186334-62-2
1186334-62-2 | 7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS No: 1186334-62-2 Catalog No: AG00HEO4 MDL No:MFCD22628189
Product Description
Catalog Number:
AG00HEO4
Chemical Name:
7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS Number:
1186334-62-2
Molecular Formula:
C13H16BClN2O2
Molecular Weight:
278.5423
MDL Number:
MFCD22628189
IUPAC Name:
7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
InChI:
InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-5-6-10(15)11-8(9)7-16-17-11/h5-7H,1-4H3,(H,16,17)
InChI Key:
NUTJVPSEKQOSEQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1[nH]nc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.543g/mol
Monoisotopic Mass:
278.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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