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1152311-77-7 | 1H-Indole-2-acetic acid, 6-fluoro-α,α-dimethyl-5-nitro-, phenylmethyl ester
CAS No: 1152311-77-7 Catalog No: AG000GHN MDL No:
Product Description
Catalog Number:
AG000GHN
Chemical Name:
1H-Indole-2-acetic acid, 6-fluoro-α,α-dimethyl-5-nitro-, phenylmethyl ester
CAS Number:
1152311-77-7
Molecular Formula:
C19H17FN2O4
Molecular Weight:
356.3477
IUPAC Name:
benzyl 2-(6-fluoro-5-nitro-1H-indol-2-yl)-2-methylpropanoate
InChI:
InChI=1S/C19H17FN2O4/c1-19(2,18(23)26-11-12-6-4-3-5-7-12)17-9-13-8-16(22(24)25)14(20)10-15(13)21-17/h3-10,21H,11H2,1-2H3
InChI Key:
SAZKCMIGEUQNTR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc([nH]c2cc1F)C(C(=O)OCc1ccccc1)(C)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.353g/mol
Monoisotopic Mass:
356.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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