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Home > Boronic Acids > 284660-86-2
284660-86-2 | 1H-Indole-2-carboxylic acid, 5-borono-, 2-methyl ester
CAS No: 284660-86-2 Catalog No: AG002VE3 MDL No:MFCD09751354
Product Description
Catalog Number:
AG002VE3
Chemical Name:
1H-Indole-2-carboxylic acid, 5-borono-, 2-methyl ester
CAS Number:
284660-86-2
Molecular Formula:
C10H10BNO4
Molecular Weight:
219.0017
MDL Number:
MFCD09751354
IUPAC Name:
(2-methoxycarbonyl-1H-indol-5-yl)boronic acid
InChI:
InChI=1S/C10H10BNO4/c1-16-10(13)9-5-6-4-7(11(14)15)2-3-8(6)12-9/h2-5,12,14-15H,1H3
InChI Key:
CCQSNIWHVJIPJQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ccc(c2)B(O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.003g/mol
Monoisotopic Mass:
219.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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