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100123-25-9 | 1H-Indole-2-carboxylic acid, 5-bromo-3-formyl-, ethyl ester
CAS No: 100123-25-9 Catalog No: AG00010V MDL No:MFCD02257704
Product Description
Catalog Number:
AG00010V
Chemical Name:
1H-Indole-2-carboxylic acid, 5-bromo-3-formyl-, ethyl ester
CAS Number:
100123-25-9
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
MDL Number:
MFCD02257704
IUPAC Name:
ethyl 5-bromo-3-formyl-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H10BrNO3/c1-2-17-12(16)11-9(6-15)8-5-7(13)3-4-10(8)14-11/h3-6,14H,2H2,1H3
InChI Key:
VPJYMMSHBAEVOX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1C=O)cc(cc2)Br
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.12g/mol
Monoisotopic Mass:
294.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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