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207674-91-7 | 1H-Indol-3-ol, 5-bromo-6-chloro-
CAS No: 207674-91-7 Catalog No: AG002J7B MDL No:
Product Description
Catalog Number:
AG002J7B
Chemical Name:
1H-Indol-3-ol, 5-bromo-6-chloro-
CAS Number:
207674-91-7
Molecular Formula:
C8H5BrClNO
Molecular Weight:
246.4884
IUPAC Name:
tert-butyl 5-bromo-6-chloro-3-hydroxyindole-1-carboxylate
InChI:
InChI=1S/C13H13BrClNO3/c1-13(2,3)19-12(18)16-6-11(17)7-4-8(14)9(15)5-10(7)16/h4-6,17H,1-3H3
InChI Key:
GOCPGHYVOVCIRH-UHFFFAOYSA-N
SMILES:
Clc1cc2[nH]cc(c2cc1Br)O
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.977g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.605g/mol
Monoisotopic Mass:
344.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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