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Home > Bromides > 1638763-46-8
1638763-46-8 | 1H-Indole-3-carboxylic acid, 5-bromo-4,6-difluoro-, methyl ester
CAS No: 1638763-46-8 Catalog No: AG001UH5 MDL No:MFCD27987758
Product Description
Catalog Number:
AG001UH5
Chemical Name:
1H-Indole-3-carboxylic acid, 5-bromo-4,6-difluoro-, methyl ester
CAS Number:
1638763-46-8
Molecular Formula:
C10H6BrF2NO2
Molecular Weight:
290.0609
MDL Number:
MFCD27987758
IUPAC Name:
methyl 5-bromo-4,6-difluoro-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H6BrF2NO2/c1-16-10(15)4-3-14-6-2-5(12)8(11)9(13)7(4)6/h2-3,14H,1H3
InChI Key:
MOUSARQORXOTFT-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1c(F)c(c(c2)F)Br
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.955g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.064g/mol
Monoisotopic Mass:
288.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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