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1300026-97-4 | 1H-Indole-3-carboxylic acid, 2-amino-6-bromo-, methyl ester
CAS No: 1300026-97-4 Catalog No: AG000TVH MDL No:
Product Description
Catalog Number:
AG000TVH
Chemical Name:
1H-Indole-3-carboxylic acid, 2-amino-6-bromo-, methyl ester
CAS Number:
1300026-97-4
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
IUPAC Name:
methyl 2-amino-6-bromo-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-15-10(14)8-6-3-2-5(11)4-7(6)13-9(8)12/h2-4,13H,12H2,1H3
InChI Key:
DVATVZKKZSYABI-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)[nH]c2c1ccc(c2)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.098g/mol
Monoisotopic Mass:
267.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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