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1375064-48-4 | 1H-Indole-1-carboxylic acid, 3-bromo-5-fluoro-, ethyl ester
CAS No: 1375064-48-4 Catalog No: AG0013FA MDL No:MFCD22205880
Product Description
Catalog Number:
AG0013FA
Chemical Name:
1H-Indole-1-carboxylic acid, 3-bromo-5-fluoro-, ethyl ester
CAS Number:
1375064-48-4
Molecular Formula:
C11H9BrFNO2
Molecular Weight:
286.0971
MDL Number:
MFCD22205880
IUPAC Name:
ethyl 3-bromo-5-fluoroindole-1-carboxylate
InChI:
InChI=1S/C11H9BrFNO2/c1-2-16-11(15)14-6-9(12)8-5-7(13)3-4-10(8)14/h3-6H,2H2,1H3
InChI Key:
XUSPKFNHWSSXGC-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1cc(c2c1ccc(c2)F)Br
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.1g/mol
Monoisotopic Mass:
284.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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