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1167056-09-8 | 1H-Indole-1-carboxylic acid, 4-bromo-7-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1167056-09-8 Catalog No: AG000D2I MDL No:
Product Description
Catalog Number:
AG000D2I
Chemical Name:
1H-Indole-1-carboxylic acid, 4-bromo-7-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1167056-09-8
Molecular Formula:
C13H14BrNO3
Molecular Weight:
312.1592
IUPAC Name:
tert-butyl 4-bromo-7-hydroxyindole-1-carboxylate
InChI:
InChI=1S/C13H14BrNO3/c1-13(2,3)18-12(17)15-7-6-8-9(14)4-5-10(16)11(8)15/h4-7,16H,1-3H3
InChI Key:
UMUIHDREBGMGRC-UHFFFAOYSA-N
SMILES:
O=C(n1ccc2c1c(O)ccc2Br)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.163g/mol
Monoisotopic Mass:
311.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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