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241466-90-0 | 2-(1H-1,2,3-Benzotriazol-1-yl)-2-(4-fluorophenyl)-3-(trimethylsilyl)propanal
CAS No: 241466-90-0 Catalog No: AG01EULA MDL No:
Product Description
Catalog Number:
AG01EULA
Chemical Name:
2-(1H-1,2,3-Benzotriazol-1-yl)-2-(4-fluorophenyl)-3-(trimethylsilyl)propanal
CAS Number:
241466-90-0
Molecular Formula:
C18H20FN3OSi
Molecular Weight:
341.4548
IUPAC Name:
2-(benzotriazol-1-yl)-2-(4-fluorophenyl)-3-trimethylsilylpropanal
InChI:
InChI=1S/C18H20FN3OSi/c1-24(2,3)13-18(12-23,14-8-10-15(19)11-9-14)22-17-7-5-4-6-16(17)20-21-22/h4-12H,13H2,1-3H3
InChI Key:
ACUPXNVLUHGAOX-UHFFFAOYSA-N
SMILES:
O=CC(n1nnc2c1cccc2)(c1ccc(cc1)F)C[Si](C)(C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.461g/mol
Monoisotopic Mass:
341.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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