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Home > Bromides > 1227269-44-4
1227269-44-4 | 1H-Indole-6-carboxylic acid, 5-bromo-
CAS No: 1227269-44-4 Catalog No: AG000J5Y MDL No:
Product Description
Catalog Number:
AG000J5Y
Chemical Name:
1H-Indole-6-carboxylic acid, 5-bromo-
CAS Number:
1227269-44-4
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
IUPAC Name:
5-bromo-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2/c10-7-3-5-1-2-11-8(5)4-6(7)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
KZDAYIRBVQRKRT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2[nH]ccc2cc1Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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