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1228957-08-1

1228957-08-1 | Benzoic acid, 3-[1-[(1,1-dimethylethyl)dimethylsilyl]-1H-indol-5-yl]-

CAS No: 1228957-08-1 Catalog No: AG000JQA MDL No:MFCD16618950

Product Description

Catalog Number:
AG000JQA
Chemical Name:
Benzoic acid, 3-[1-[(1,1-dimethylethyl)dimethylsilyl]-1H-indol-5-yl]-
CAS Number:
1228957-08-1
Molecular Formula:
C21H25NO2Si
Molecular Weight:
351.5142
MDL Number:
MFCD16618950
IUPAC Name:
3-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]benzoic acid
InChI:
InChI=1S/C21H25NO2Si/c1-21(2,3)25(4,5)22-12-11-17-13-16(9-10-19(17)22)15-7-6-8-18(14-15)20(23)24/h6-14H,1-5H3,(H,23,24)
InChI Key:
HDBCXDRSFKQAAL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc2c(c1)ccn2[Si](C(C)(C)C)(C)C

Properties

Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.165g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.521g/mol
Monoisotopic Mass:
351.165g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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