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Home > Boronic Acids > 1256355-59-5
1256355-59-5 | Boronic acid, B-(4-chloro-1H-indol-2-yl)-
CAS No: 1256355-59-5 Catalog No: AG000O40 MDL No:MFCD11506061
Product Description
Catalog Number:
AG000O40
Chemical Name:
Boronic acid, B-(4-chloro-1H-indol-2-yl)-
CAS Number:
1256355-59-5
Molecular Formula:
C8H7BClNO2
Molecular Weight:
195.4107
MDL Number:
MFCD11506061
IUPAC Name:
(4-chloro-1H-indol-2-yl)boronic acid
InChI:
InChI=1S/C8H7BClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11-13H
InChI Key:
ZZGLBGIEHZTTTH-UHFFFAOYSA-N
SMILES:
OB(c1cc2c([nH]1)cccc2Cl)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.409g/mol
Monoisotopic Mass:
195.026g/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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