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Home > Boronic Acids > 1001162-89-5
1001162-89-5 | 1H-Indole-1-carboxylic acid, 2-borono-, 1-methyl ester
CAS No: 1001162-89-5 Catalog No: AG0000ZU MDL No:MFCD22123264
Product Description
Catalog Number:
AG0000ZU
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-, 1-methyl ester
CAS Number:
1001162-89-5
Molecular Formula:
C10H10BNO4
Molecular Weight:
219.0017
MDL Number:
MFCD22123264
IUPAC Name:
(1-methoxycarbonylindol-2-yl)boronic acid
InChI:
InChI=1S/C10H10BNO4/c1-16-10(13)12-8-5-3-2-4-7(8)6-9(12)11(14)15/h2-6,14-15H,1H3
InChI Key:
BYSPSIQMPUCCRP-UHFFFAOYSA-N
SMILES:
COC(=O)n1c(cc2c1cccc2)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:
2
Isotope Atom Count:
0
Molecular Weight:
219.003g/mol
Monoisotopic Mass:
219.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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