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Home > Boronic Acids > 1236071-90-1
1236071-90-1 | 2-(trifluoromethyl)-1H-indol-5-ylboronicacid
CAS No: 1236071-90-1 Catalog No: AG00HHCM MDL No:MFCD18383559
Product Description
Catalog Number:
AG00HHCM
Chemical Name:
2-(trifluoromethyl)-1H-indol-5-ylboronicacid
CAS Number:
1236071-90-1
Molecular Formula:
C9H7BF3NO2
Molecular Weight:
228.9636
MDL Number:
MFCD18383559
IUPAC Name:
[2-(trifluoromethyl)-1H-indol-5-yl]boronic acid
InChI:
InChI=1S/C9H7BF3NO2/c11-9(12,13)8-4-5-3-6(10(15)16)1-2-7(5)14-8/h1-4,14-16H
InChI Key:
ZZTYIVBTARJWBY-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)cc([nH]2)C(F)(F)F)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.965g/mol
Monoisotopic Mass:
229.052g/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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