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Home > Bromides > 1467059-91-1
1467059-91-1 | 1H-Indole-3-carboxylic acid, 5-bromo-6-chloro-, methyl ester
CAS No: 1467059-91-1 Catalog No: AG001E8V MDL No:MFCD27987753
Product Description
Catalog Number:
AG001E8V
Chemical Name:
1H-Indole-3-carboxylic acid, 5-bromo-6-chloro-, methyl ester
CAS Number:
1467059-91-1
Molecular Formula:
C10H7BrClNO2
Molecular Weight:
288.5251
MDL Number:
MFCD27987753
IUPAC Name:
methyl 5-bromo-6-chloro-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H7BrClNO2/c1-15-10(14)6-4-13-9-3-8(12)7(11)2-5(6)9/h2-4,13H,1H3
InChI Key:
PLMOQYXKIYBPBH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cc(Br)c(c2)Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.935g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.525g/mol
Monoisotopic Mass:
286.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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