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Home > Boronic Acids > 871329-64-5
871329-64-5 | (5-Cyano-1H-indol-2-yl)boronic acid
CAS No: 871329-64-5 Catalog No: AG0036DD MDL No:MFCD06798223
Product Description
Catalog Number:
AG0036DD
Chemical Name:
(5-Cyano-1H-indol-2-yl)boronic acid
CAS Number:
871329-64-5
Molecular Formula:
C9H7BN2O2
Molecular Weight:
185.9751
MDL Number:
MFCD06798223
IUPAC Name:
(5-cyano-1H-indol-2-yl)boronic acid
InChI:
InChI=1S/C9H7BN2O2/c11-5-6-1-2-8-7(3-6)4-9(12-8)10(13)14/h1-4,12-14H
InChI Key:
UALSJXICMYXRMN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc([nH]2)B(O)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.977g/mol
Monoisotopic Mass:
186.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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