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1627722-96-6 | 1H-Indole-1-carboxylic acid, 6-fluoro-3-iodo-, 1,1-dimethylethyl ester
CAS No: 1627722-96-6 Catalog No: AG001TEO MDL No:
Product Description
Catalog Number:
AG001TEO
Chemical Name:
1H-Indole-1-carboxylic acid, 6-fluoro-3-iodo-, 1,1-dimethylethyl ester
CAS Number:
1627722-96-6
Molecular Formula:
C13H13FINO2
Molecular Weight:
361.1507
IUPAC Name:
tert-butyl 6-fluoro-3-iodoindole-1-carboxylate
InChI:
InChI=1S/C13H13FINO2/c1-13(2,3)18-12(17)16-7-10(15)9-5-4-8(14)6-11(9)16/h4-7H,1-3H3
InChI Key:
WPOVDTIKQGQPQO-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1cc(F)cc2)I)OC(C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.155g/mol
Monoisotopic Mass:
360.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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