200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1314406-46-6
1314406-46-6 | 1H-Indole-1-carboxylic acid, 3-bromo-6-fluoro-, 1,1-dimethylethyl ester
CAS No: 1314406-46-6 Catalog No: AG000W77 MDL No:MFCD19442769
Product Description
Catalog Number:
AG000W77
Chemical Name:
1H-Indole-1-carboxylic acid, 3-bromo-6-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1314406-46-6
Molecular Formula:
C13H13BrFNO2
Molecular Weight:
314.1502
MDL Number:
MFCD19442769
IUPAC Name:
tert-butyl 3-bromo-6-fluoroindole-1-carboxylate
InChI:
InChI=1S/C13H13BrFNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3
InChI Key:
MAERWTKKEZHNEC-UHFFFAOYSA-N
SMILES:
O=C(n1cc(c2c1cc(F)cc2)Br)OC(C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.154g/mol
Monoisotopic Mass:
313.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.