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1304782-97-5 | 1H-Indole-1-carboxylic acid, 5-fluoro-2,3-dihydro-, 1,1-dimethylethyl ester
CAS No: 1304782-97-5 Catalog No: AG000UGT MDL No:
Product Description
Catalog Number:
AG000UGT
Chemical Name:
1H-Indole-1-carboxylic acid, 5-fluoro-2,3-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1304782-97-5
Molecular Formula:
C13H16FNO2
Molecular Weight:
237.2700
IUPAC Name:
tert-butyl 5-fluoro-2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C13H16FNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-5,8H,6-7H2,1-3H3
InChI Key:
YOHOOJDAIWYYTR-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.274g/mol
Monoisotopic Mass:
237.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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