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Home > Boronic Acids > 147621-18-9
147621-18-9 | Boronic acid, B-1H-indol-6-yl-
CAS No: 147621-18-9 Catalog No: AG001F0W MDL No:MFCD03095176
Product Description
Catalog Number:
AG001F0W
Chemical Name:
Boronic acid, B-1H-indol-6-yl-
CAS Number:
147621-18-9
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
MDL Number:
MFCD03095176
IUPAC Name:
1H-indol-6-ylboronic acid
InChI:
InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
InChI Key:
ZVMHOIWRCCZGPZ-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)[nH]cc2)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
160.967g/mol
Monoisotopic Mass:
161.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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