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797031-78-8 | 1H-Indole-1-carboxylicacid, 7-chloro-3-methyl-, 1,1-dimethylethyl ester
CAS No: 797031-78-8 Catalog No: AG005IMB MDL No:
Product Description
Catalog Number:
AG005IMB
Chemical Name:
1H-Indole-1-carboxylicacid, 7-chloro-3-methyl-, 1,1-dimethylethyl ester
CAS Number:
797031-78-8
Molecular Formula:
C14H16ClNO2
Molecular Weight:
265.7353
IUPAC Name:
tert-butyl 7-chloro-3-methylindole-1-carboxylate
InChI:
InChI=1S/C14H16ClNO2/c1-9-8-16(13(17)18-14(2,3)4)12-10(9)6-5-7-11(12)15/h5-8H,1-4H3
InChI Key:
IDXAMDBQZZCHTI-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1n(cc2C)C(=O)OC(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.737g/mol
Monoisotopic Mass:
265.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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