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Home > Bromides > 1245644-30-7
1245644-30-7 | 1H-Indole-2-carboxylic acid, 3-bromo-6-chloro-5-fluoro-, ethyl ester
CAS No: 1245644-30-7 Catalog No: AG000M8U MDL No:MFCD12964186
Product Description
Catalog Number:
AG000M8U
Chemical Name:
1H-Indole-2-carboxylic acid, 3-bromo-6-chloro-5-fluoro-, ethyl ester
CAS Number:
1245644-30-7
Molecular Formula:
C11H8BrClFNO2
Molecular Weight:
320.5421
MDL Number:
MFCD12964186
IUPAC Name:
ethyl 3-bromo-6-chloro-5-fluoro-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H8BrClFNO2/c1-2-17-11(16)10-9(12)5-3-7(14)6(13)4-8(5)15-10/h3-4,15H,2H2,1H3
InChI Key:
BRYNCODUELVAGI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1Br)cc(c(c2)Cl)F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.941g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.542g/mol
Monoisotopic Mass:
318.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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